5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile

C19H24N4O2 — CID 97152613

IUPAC5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H24N4O2/c1-21-11-15(10-20)9-16(21)17(24)23-8-6-19(13-23)5-2-7-22(18(19)25)12-14-3-4-14/h9,11,14H,2-8,12-13H2,1H3/t19-/m0/s1
InChIKeyMOZUTWJFJQMOCM-IBGZPJMESA-N
MW340.43 g/mol
LogP1.76
Rot. Bonds3

About 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile

5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile (PubChem CID 97152613) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
PubChem CID97152613
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H24N4O2/c1-21-11-15(10-20)9-16(21)17(24)23-8-6-19(13-23)5-2-7-22(18(19)25)12-14-3-4-14/h9,11,14H,2-8,12-13H2,1H3/t19-/m0/s1
InChIKeyMOZUTWJFJQMOCM-IBGZPJMESA-N
XLogP1.76
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile with MolForge

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Related Compounds

5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72870546
(5S)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97110657
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
7-(cyclobutylmethyl)-2-(5-fluoro-1-methylindole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72889842
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
(5R)-7-(cyclopropylmethyl)-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126431174
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile (CID 97152613) is 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile is Cn1cc(C#N)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile?
The InChIKey is MOZUTWJFJQMOCM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-11-15(10-20)9-16(21)17(24)23-8-6-19(13-23)5-2-7-22(18(19)25)12-14-3-4-14/h9,11,14H,2-8,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile?
5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 97152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).