(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H30N2O3 — CID 131687886

IUPAC(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)C3(C)CC=CCC3)C[C@H]2C)C1=O
InChIInChI=1S/C19H30N2O3/c1-15-13-21(16(22)18(2)7-5-4-6-8-18)14-19(15)9-10-20(17(19)23)11-12-24-3/h4-5,15H,6-14H2,1-3H3/t15-,18?,19-/m1/s1
InChIKeyIVGZUCASIJPRJL-QYHYLKRQSA-N
MW334.46 g/mol
LogP2.08
Rot. Bonds4

About (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131687886) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131687886
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)C3(C)CC=CCC3)C[C@H]2C)C1=O
InChIInChI=1S/C19H30N2O3/c1-15-13-21(16(22)18(2)7-5-4-6-8-18)14-19(15)9-10-20(17(19)23)11-12-24-3/h4-5,15H,6-14H2,1-3H3/t15-,18?,19-/m1/s1
InChIKeyIVGZUCASIJPRJL-QYHYLKRQSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(3-pyrimidin-5-ylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687935
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687823
[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone
CID 155870817
(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131687891
(5S,9S)-7-benzyl-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471686
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155826254
5-(cyclopropylmethyl)-2-(1-methylcyclohex-3-ene-1-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131683041
4-(ethoxymethyl)-2-ethyl-8-(1-methylcyclohex-3-ene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131690520
7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672334
(5S,9S)-7-(3-methoxypyridine-4-carbonyl)-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131688267
(5S,9S)-2-[2-(dimethylamino)ethyl]-7-(2-fluorobenzoyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392310
2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131687886) is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@]2(CN(C(=O)C3(C)CC=CCC3)C[C@H]2C)C1=O.
What is the InChIKey of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is IVGZUCASIJPRJL-QYHYLKRQSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15-13-21(16(22)18(2)7-5-4-6-8-18)14-19(15)9-10-20(17(19)23)11-12-24-3/h4-5,15H,6-14H2,1-3H3/t15-,18?,19-/m1/s1.
What are the key properties of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131687886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).