2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H31N3O3 — CID 72854659

IUPAC2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)n1cccc1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-16(2)23-11-3-5-17(23)19(26)21-12-8-20(9-13-21)7-6-18(25)22(15-20)10-4-14-24/h3,5,11,16,24H,4,6-10,12-15H2,1-2H3
InChIKeyBFQGJZOJFWLNRC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.30
Rot. Bonds5

About 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72854659) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72854659
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)n1cccc1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C20H31N3O3/c1-16(2)23-11-3-5-17(23)19(26)21-12-8-20(9-13-21)7-6-18(25)22(15-20)10-4-14-24/h3,5,11,16,24H,4,6-10,12-15H2,1-2H3
InChIKeyBFQGJZOJFWLNRC-UHFFFAOYSA-N
XLogP2.30
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
9-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911142
2-(3-hydroxypropyl)-9-[2-(methylamino)pyrimidine-5-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72925522
(2R)-2-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-phenylpropanamide
CID 97124481
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
9-[2-(3,4-dimethylphenyl)acetyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72924903
9-(1-methylpyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97123695
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72854659) is 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(C)n1cccc1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BFQGJZOJFWLNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(2)23-11-3-5-17(23)19(26)21-12-8-20(9-13-21)7-6-18(25)22(15-20)10-4-14-24/h3,5,11,16,24H,4,6-10,12-15H2,1-2H3.
What are the key properties of 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72854659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).