(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide

C14H23NO — CID 51926176

IUPAC(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C14H23NO/c16-14(12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-13/h3-4,12-13H,1-2,5-11H2,(H,15,16)/t12-/m1/s1
InChIKeyUDZKJAXHMUWIAY-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.18
Rot. Bonds2

About (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide

(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide (PubChem CID 51926176) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
PubChem CID51926176
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C14H23NO/c16-14(12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-13/h3-4,12-13H,1-2,5-11H2,(H,15,16)/t12-/m1/s1
InChIKeyUDZKJAXHMUWIAY-GFCCVEGCSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide (CID 51926176) is (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide is O=C(NC1CCCCCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide?
The InChIKey is UDZKJAXHMUWIAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c16-14(12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-13/h3-4,12-13H,1-2,5-11H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide?
(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51926176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).