N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide

C13H20N2O2 — CID 11536008

IUPACN-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)C1=CCCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h6,11H,1-5,7-9H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyNRJNOQLJTOYSJC-NSHDSACASA-N
MW236.31 g/mol
LogP1.27
Rot. Bonds2

About N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide

N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide (PubChem CID 11536008) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide
PubChem CID11536008
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)C1=CCCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h6,11H,1-5,7-9H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyNRJNOQLJTOYSJC-NSHDSACASA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide (CID 11536008) is N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide is O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide?
The InChIKey is NRJNOQLJTOYSJC-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h6,11H,1-5,7-9H2,(H,14,17)(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide is sourced from PubChem (CID 11536008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).