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

C18H23NO2 — CID 100882580

IUPAC(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21
InChIInChI=1S/C18H23NO2/c1-2-21-16-12-8-7-11-15(16)19-18(20)17-13-9-5-3-4-6-10-14(13)17/h5,7-9,11-14,17H,2-4,6,10H2,1H3,(H,19,20)/t13-,14+,17-/m1/s1
InChIKeyZRVMNDIIRNBUOD-JKIFEVAISA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds4

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

(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide (PubChem CID 100882580) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
PubChem CID100882580
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21
InChIInChI=1S/C18H23NO2/c1-2-21-16-12-8-7-11-15(16)19-18(20)17-13-9-5-3-4-6-10-14(13)17/h5,7-9,11-14,17H,2-4,6,10H2,1H3,(H,19,20)/t13-,14+,17-/m1/s1
InChIKeyZRVMNDIIRNBUOD-JKIFEVAISA-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

(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,8R,9S)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 98083702
10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 2894969
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2969703
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
(1R,2R,3R,4R)-3-[(2-ethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99720915

Frequently Asked Questions

What is the IUPAC name of (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The IUPAC name of (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide (CID 100882580) is (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide.
What is the SMILES notation for (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The canonical SMILES for (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide is CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21.
What is the InChIKey of (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
The InChIKey is ZRVMNDIIRNBUOD-JKIFEVAISA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-16-12-8-7-11-15(16)19-18(20)17-13-9-5-3-4-6-10-14(13)17/h5,7-9,11-14,17H,2-4,6,10H2,1H3,(H,19,20)/t13-,14+,17-/m1/s1.
What are the key properties of (1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide?
(1R,8S,9S)-N-(2-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,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide is sourced from PubChem (CID 100882580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).