4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide

C14H15NO2 — CID 163929031

IUPAC4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(C(=O)C2=CCCC=C2)CC1
InChIInChI=1S/C14H15NO2/c15-14(17)12-8-6-11(7-9-12)13(16)10-4-2-1-3-5-10/h2,4-6,8H,1,3,7,9H2,(H2,15,17)
InChIKeyRHCBIBBVJDWOTD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds3

About 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide

4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 163929031) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID163929031
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(C(=O)C2=CCCC=C2)CC1
InChIInChI=1S/C14H15NO2/c15-14(17)12-8-6-11(7-9-12)13(16)10-4-2-1-3-5-10/h2,4-6,8H,1,3,7,9H2,(H2,15,17)
InChIKeyRHCBIBBVJDWOTD-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexa-1,5-dien-1-yl-[4-(4-ethynylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]methanone
CID 123233087
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium
CID 176944216
N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 144914796
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
CID 144544332
4-methoxycyclohexa-1,3-diene-1-carboxamide
CID 19773130
anthracen-2-yl(cyclohexa-1,5-dien-1-yl)methanone
CID 126606855
cyclohepta-1,3,6-triene-1-carboxamide
CID 53421645
methyl (2E)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylideneacetate
CID 170005054
(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide
CID 143473264
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide (CID 163929031) is 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=C(C(=O)C2=CCCC=C2)CC1.
What is the InChIKey of 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is RHCBIBBVJDWOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-14(17)12-8-6-11(7-9-12)13(16)10-4-2-1-3-5-10/h2,4-6,8H,1,3,7,9H2,(H2,15,17).
What are the key properties of 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide?
4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 163929031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).