4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one

C14H24N2O2 — CID 49007468

IUPAC4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
SMILESCCCC1CCCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C14H24N2O2/c1-2-4-11-5-3-7-16(8-6-11)14(18)12-9-13(17)15-10-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyBQJNIWCVAPLYKU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

About 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one

4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 49007468) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID49007468
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
SMILESCCCC1CCCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C14H24N2O2/c1-2-4-11-5-3-7-16(8-6-11)14(18)12-9-13(17)15-10-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyBQJNIWCVAPLYKU-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414
(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one (CID 49007468) is 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one is CCCC1CCCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BQJNIWCVAPLYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-4-11-5-3-7-16(8-6-11)14(18)12-9-13(17)15-10-12/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one?
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 49007468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).