N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen

C15H17NO — CID 142172537

IUPACN-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1ccccc1C1=CC2CC2C=C1.[H][H]
InChIInChI=1S/C15H15NO.H2/c1-10(17)16-15-5-3-2-4-14(15)12-7-6-11-8-13(11)9-12;/h2-7,9,11,13H,8H2,1H3,(H,16,17);1H
InChIKeyUGAFRJBAKCPTBA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.48
Rot. Bonds2

About N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen

N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen (PubChem CID 142172537) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen
PubChem CID142172537
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1ccccc1C1=CC2CC2C=C1.[H][H]
InChIInChI=1S/C15H15NO.H2/c1-10(17)16-15-5-3-2-4-14(15)12-7-6-11-8-13(11)9-12;/h2-7,9,11,13H,8H2,1H3,(H,16,17);1H
InChIKeyUGAFRJBAKCPTBA-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,3R,4R)-3-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6542598
(1R,2S,3R,4S)-3-[(2-hydroxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11863612
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
(1R,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714769
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
N-[2-(methylamino)phenyl]acetamide
CID 22950987
2-acetamidobenzoyl chloride
CID 12520814
methyl N-[2-(cyclobutadienyl)phenyl]carbamate
CID 145393747
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
N-[2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 135445433
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018
(1R,2S,3S,4S)-3-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 727817

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen?
The IUPAC name of N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen (CID 142172537) is N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen is CC(=O)Nc1ccccc1C1=CC2CC2C=C1.[H][H].
What is the InChIKey of N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen?
The InChIKey is UGAFRJBAKCPTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.H2/c1-10(17)16-15-5-3-2-4-14(15)12-7-6-11-8-13(11)9-12;/h2-7,9,11,13H,8H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen?
N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen has a molecular weight of 227.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)phenyl]acetamide;molecular hydrogen is sourced from PubChem (CID 142172537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).