cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone

C18H30N2O2 — CID 71875909

IUPACcyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone
SMILESCC(C)C1CCCN(C(=O)C2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-13(2)14-5-3-10-19(12-9-14)18(22)16-6-4-11-20(16)17(21)15-7-8-15/h13-16H,3-12H2,1-2H3
InChIKeyVTCRVSJDNVECSS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds3

About cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone

cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone (PubChem CID 71875909) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone
PubChem CID71875909
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Namecyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone
SMILESCC(C)C1CCCN(C(=O)C2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-13(2)14-5-3-10-19(12-9-14)18(22)16-6-4-11-20(16)17(21)15-7-8-15/h13-16H,3-12H2,1-2H3
InChIKeyVTCRVSJDNVECSS-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone 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

cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 106837048
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746
[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 143899480
1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921479
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone (CID 71875909) is cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone is CC(C)C1CCCN(C(=O)C2CCCN2C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone?
The InChIKey is VTCRVSJDNVECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)14-5-3-10-19(12-9-14)18(22)16-6-4-11-20(16)17(21)15-7-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone?
cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone has a molecular weight of 306.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71875909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).