(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C18H21NO2 — CID 5392550

IUPAC(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2[C@H]3CC/C=C\CC[C@@H]23)cc1
InChIInChI=1S/C18H21NO2/c1-12(20)13-8-10-14(11-9-13)19-18(21)17-15-6-4-2-3-5-7-16(15)17/h2-3,8-11,15-17H,4-7H2,1H3,(H,19,21)/b3-2-/t15-,16+,17?
InChIKeyJXZJEKZWRPLWPV-GWOLBSOFSA-N
MW283.37 g/mol
LogP3.82
Rot. Bonds3

About (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5392550) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5392550
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2[C@H]3CC/C=C\CC[C@@H]23)cc1
InChIInChI=1S/C18H21NO2/c1-12(20)13-8-10-14(11-9-13)19-18(21)17-15-6-4-2-3-5-7-16(15)17/h2-3,8-11,15-17H,4-7H2,1H3,(H,19,21)/b3-2-/t15-,16+,17?
InChIKeyJXZJEKZWRPLWPV-GWOLBSOFSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295
(1R,4Z,8R)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392551
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2832429
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5392550) is (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is CC(=O)c1ccc(NC(=O)C2[C@H]3CC/C=C\CC[C@@H]23)cc1.
What is the InChIKey of (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is JXZJEKZWRPLWPV-GWOLBSOFSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(20)13-8-10-14(11-9-13)19-18(21)17-15-6-4-2-3-5-7-16(15)17/h2-3,8-11,15-17H,4-7H2,1H3,(H,19,21)/b3-2-/t15-,16+,17?.
What are the key properties of (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5392550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).