cyclopropyl-(4-propylazepan-1-yl)methanone

C13H23NO — CID 49008153

IUPACcyclopropyl-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23NO/c1-2-4-11-5-3-9-14(10-8-11)13(15)12-6-7-12/h11-12H,2-10H2,1H3
InChIKeyRXTGKNIXPWCGBV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds3

About cyclopropyl-(4-propylazepan-1-yl)methanone

cyclopropyl-(4-propylazepan-1-yl)methanone (PubChem CID 49008153) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclopropyl-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-propylazepan-1-yl)methanone
PubChem CID49008153
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclopropyl-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23NO/c1-2-4-11-5-3-9-14(10-8-11)13(15)12-6-7-12/h11-12H,2-10H2,1H3
InChIKeyRXTGKNIXPWCGBV-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-aminocyclopentyl)-(4-propylazepan-1-yl)methanone
CID 66009237
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414
2,3-dimethyl-4-oxo-4-(4-propylazepan-1-yl)but-2-enoic acid
CID 77024575
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-propylazepan-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-propylazepan-1-yl)methanone (CID 49008153) is cyclopropyl-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-propylazepan-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-(4-propylazepan-1-yl)methanone?
The InChIKey is RXTGKNIXPWCGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-11-5-3-9-14(10-8-11)13(15)12-6-7-12/h11-12H,2-10H2,1H3.
What are the key properties of cyclopropyl-(4-propylazepan-1-yl)methanone?
cyclopropyl-(4-propylazepan-1-yl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 49008153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).