2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H29N3O3 — CID 97128373

IUPAC2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1C[C@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-2-9-22-13-15(12-18(22)25)19(26)21-10-7-20(8-11-21)6-5-17(24)23(14-20)16-3-4-16/h2,15-16H,1,3-14H2/t15-/m1/s1
InChIKeyLXDBEJVXFKADMF-OAHLLOKOSA-N
MW359.47 g/mol
LogP1.41
Rot. Bonds4

About 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97128373) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97128373
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1C[C@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-2-9-22-13-15(12-18(22)25)19(26)21-10-7-20(8-11-21)6-5-17(24)23(14-20)16-3-4-16/h2,15-16H,1,3-14H2/t15-/m1/s1
InChIKeyLXDBEJVXFKADMF-OAHLLOKOSA-N
XLogP1.41
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.41
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

9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 131946642
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728
2-cyclopropyl-9-[(2S)-2-(dimethylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156415
2-cyclopropyl-9-(2-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900797
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
2-cyclobutyl-9-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72858851
2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97128373) is 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1C[C@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CC1=O.
What is the InChIKey of 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LXDBEJVXFKADMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-9-22-13-15(12-18(22)25)19(26)21-10-7-20(8-11-21)6-5-17(24)23(14-20)16-3-4-16/h2,15-16H,1,3-14H2/t15-/m1/s1.
What are the key properties of 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97128373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).