N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C18H26N2O2 — CID 56824683

IUPACN-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC=CCNC(=O)C1(NC(=O)C2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-2-10-19-17(22)18(8-4-3-5-9-18)20-16(21)15-12-13-6-7-14(15)11-13/h2,6-7,13-15H,1,3-5,8-12H2,(H,19,22)(H,20,21)
InChIKeyOANNIWQKXPLITC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds5

About N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 56824683) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID56824683
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC=CCNC(=O)C1(NC(=O)C2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C18H26N2O2/c1-2-10-19-17(22)18(8-4-3-5-9-18)20-16(21)15-12-13-6-7-14(15)11-13/h2,6-7,13-15H,1,3-5,8-12H2,(H,19,22)(H,20,21)
InChIKeyOANNIWQKXPLITC-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 56824683) is N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is C=CCNC(=O)C1(NC(=O)C2CC3C=CC2C3)CCCCC1.
What is the InChIKey of N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is OANNIWQKXPLITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-10-19-17(22)18(8-4-3-5-9-18)20-16(21)15-12-13-6-7-14(15)11-13/h2,6-7,13-15H,1,3-5,8-12H2,(H,19,22)(H,20,21).
What are the key properties of N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 56824683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).