N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide

C8H12N2O — CID 23171965

IUPACN-(2-aminocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(N)CCC=C1
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h3,5H,2,4,9H2,1H3,(H,10,11)
InChIKeyZZZOKJDPIJQKBI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.64
Rot. Bonds1

About N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide

N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 23171965) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID23171965
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(2-aminocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(N)CCC=C1
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h3,5H,2,4,9H2,1H3,(H,10,11)
InChIKeyZZZOKJDPIJQKBI-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 144831896
2-N-butylcyclohexa-1,3-diene-1,2-diamine
CID 147582291
ethyl N-(2-hydroxycyclohexa-1,5-dien-1-yl)carbamate
CID 173255083
3-methyl-N-[2-(3-methylbutanoylamino)cyclohexa-1,3-dien-1-yl]butanamide
CID 66796071
2-chlorocyclohexa-1,3-dien-1-amine
CID 67694801
2-methylcycloocta-1,3,5-trien-1-amine
CID 67050786
(3Z,5E)-5-[(2-methylcyclohexa-1,5-dien-1-yl)amino]hepta-3,5-diene-2-thione
CID 155417044
1-(2-aminocyclohexa-1,5-diene-1-carbonyl)-2-cyclooctyl-4,4-dimethyldiazetidin-3-one
CID 70892042
1-(4-bromo-5,6-dihydronaphthalen-1-yl)ethanone
CID 164780532
N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
CID 144544332
ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine
CID 142129018
2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide
CID 170110523

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide (CID 23171965) is N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=C(N)CCC=C1.
What is the InChIKey of N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is ZZZOKJDPIJQKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h3,5H,2,4,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide?
N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 23171965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).