(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

C18H23NO2 — CID 98083702

IUPAC(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=CCCCC[C@H]32)cc1
InChIInChI=1S/C18H23NO2/c1-2-21-14-11-9-13(10-12-14)19-18(20)17-15-7-5-3-4-6-8-16(15)17/h5,7,9-12,15-17H,2-4,6,8H2,1H3,(H,19,20)/t15-,16-,17-/m1/s1
InChIKeyLXNGQYSZVKCZLE-BRWVUGGUSA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds4

About (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide

(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide (PubChem CID 98083702) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
PubChem CID98083702
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=CCCCC[C@H]32)cc1
InChIInChI=1S/C18H23NO2/c1-2-21-14-11-9-13(10-12-14)19-18(20)17-15-7-5-3-4-6-8-16(15)17/h5,7,9-12,15-17H,2-4,6,8H2,1H3,(H,19,20)/t15-,16-,17-/m1/s1
InChIKeyLXNGQYSZVKCZLE-BRWVUGGUSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.02
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

(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
(2Z)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 56690090
N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 23992983
(1S,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 97038109
(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 100882580
(1S,2R,4R,5S,6R,7R)-7-[(4-ethoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124714933
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
(1R,2S,3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98283674
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The IUPAC name of (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide (CID 98083702) is (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide.
What is the SMILES notation for (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The canonical SMILES for (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide is CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=CCCCC[C@H]32)cc1.
What is the InChIKey of (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The InChIKey is LXNGQYSZVKCZLE-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-14-11-9-13(10-12-14)19-18(20)17-15-7-5-3-4-6-8-16(15)17/h5,7,9-12,15-17H,2-4,6,8H2,1H3,(H,19,20)/t15-,16-,17-/m1/s1.
What are the key properties of (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
(1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide is sourced from PubChem (CID 98083702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).