2-(cyclohexa-2,4-dien-1-ylamino)acetamide

C8H12N2O — CID 70387720

IUPAC2-(cyclohexa-2,4-dien-1-ylamino)acetamide
SMILESNC(=O)CNC1C=CC=CC1
InChIInChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-4,7,10H,5-6H2,(H2,9,11)
InChIKeyCVLJPAXFKMBNJD-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.05
Rot. Bonds3

About 2-(cyclohexa-2,4-dien-1-ylamino)acetamide

2-(cyclohexa-2,4-dien-1-ylamino)acetamide (PubChem CID 70387720) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylamino)acetamide.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylamino)acetamide
PubChem CID70387720
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(cyclohexa-2,4-dien-1-ylamino)acetamide
SMILESNC(=O)CNC1C=CC=CC1
InChIInChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-4,7,10H,5-6H2,(H2,9,11)
InChIKeyCVLJPAXFKMBNJD-UHFFFAOYSA-N
XLogP-0.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-ylamino)acetamide?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylamino)acetamide (CID 70387720) is 2-(cyclohexa-2,4-dien-1-ylamino)acetamide.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylamino)acetamide?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylamino)acetamide is NC(=O)CNC1C=CC=CC1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylamino)acetamide?
The InChIKey is CVLJPAXFKMBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-4,7,10H,5-6H2,(H2,9,11).
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylamino)acetamide?
2-(cyclohexa-2,4-dien-1-ylamino)acetamide has a molecular weight of 152.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylamino)acetamide is sourced from PubChem (CID 70387720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).