N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide

C8H12N2O — CID 18972254

IUPACN-(3-aminocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(N)CC=C1
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3,9H2,1H3,(H,10,11)
InChIKeyDDWMTCNGNHNIQL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.29
Rot. Bonds1

About N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide

N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 18972254) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID18972254
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(3-aminocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(N)CC=C1
InChIInChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3,9H2,1H3,(H,10,11)
InChIKeyDDWMTCNGNHNIQL-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide (CID 18972254) is N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CC(N)CC=C1.
What is the InChIKey of N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is DDWMTCNGNHNIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2,4-5,7H,3,9H2,1H3,(H,10,11).
What are the key properties of N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide?
N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 18972254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).