2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide

C10H16N2O — CID 134276874

IUPAC2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide
SMILESCC1C=CC=CC1CC(N)C(N)=O
InChIInChI=1S/C10H16N2O/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,7-9H,6,11H2,1H3,(H2,12,13)
InChIKeyMBAKWYMXKYVRRP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide

2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide (PubChem CID 134276874) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide
PubChem CID134276874
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide
SMILESCC1C=CC=CC1CC(N)C(N)=O
InChIInChI=1S/C10H16N2O/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,7-9H,6,11H2,1H3,(H2,12,13)
InChIKeyMBAKWYMXKYVRRP-UHFFFAOYSA-N
XLogP0.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide?
The IUPAC name of 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide (CID 134276874) is 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide is CC1C=CC=CC1CC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide?
The InChIKey is MBAKWYMXKYVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,7-9H,6,11H2,1H3,(H2,12,13).
What are the key properties of 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide?
2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-methylcyclohexa-2,4-dien-1-yl)propanamide is sourced from PubChem (CID 134276874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).