(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

C19H28N4O2 — CID 97495285

IUPAC(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cccn1C)C2
InChIInChI=1S/C19H28N4O2/c1-5-9-22-12-13-23(15(2)3)18(25)19(22)8-11-21(14-19)17(24)16-7-6-10-20(16)4/h5-7,10,15H,1,8-9,11-14H2,2-4H3/t19-/m0/s1
InChIKeyDCQMHDTUZAVJAC-IBGZPJMESA-N
MW344.46 g/mol
LogP1.35
Rot. Bonds4

About (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 97495285) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID97495285
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cccn1C)C2
InChIInChI=1S/C19H28N4O2/c1-5-9-22-12-13-23(15(2)3)18(25)19(22)8-11-21(14-19)17(24)16-7-6-10-20(16)4/h5-7,10,15H,1,8-9,11-14H2,2-4H3/t19-/m0/s1
InChIKeyDCQMHDTUZAVJAC-IBGZPJMESA-N
XLogP1.35
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495284
(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97385696
(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495229
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 167201518
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
2-[(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl]acetonitrile
CID 97495298
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
CID 110197957
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
1-benzyl-3-(2-hydroxyethyl)-8-(1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616248
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (CID 97495285) is (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cccn1C)C2.
What is the InChIKey of (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is DCQMHDTUZAVJAC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-9-22-12-13-23(15(2)3)18(25)19(22)8-11-21(14-19)17(24)16-7-6-10-20(16)4/h5-7,10,15H,1,8-9,11-14H2,2-4H3/t19-/m0/s1.
What are the key properties of (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 344.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 97495285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).