2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal

C10H15NO — CID 166942699

IUPAC2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal
SMILESCC1(C)C=CC=C1CC(N)C=O
InChIInChI=1S/C10H15NO/c1-10(2)5-3-4-8(10)6-9(11)7-12/h3-5,7,9H,6,11H2,1-2H3
InChIKeyHZNFSEXNCIVFOO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal

2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal (PubChem CID 166942699) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal.

Molecular Properties

Compound Name2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal
PubChem CID166942699
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal
SMILESCC1(C)C=CC=C1CC(N)C=O
InChIInChI=1S/C10H15NO/c1-10(2)5-3-4-8(10)6-9(11)7-12/h3-5,7,9H,6,11H2,1-2H3
InChIKeyHZNFSEXNCIVFOO-UHFFFAOYSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal?
The IUPAC name of 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal (CID 166942699) is 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal.
What is the SMILES notation for 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal?
The canonical SMILES for 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal is CC1(C)C=CC=C1CC(N)C=O.
What is the InChIKey of 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal?
The InChIKey is HZNFSEXNCIVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)5-3-4-8(10)6-9(11)7-12/h3-5,7,9H,6,11H2,1-2H3.
What are the key properties of 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal?
2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal has a molecular weight of 165.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)propanal is sourced from PubChem (CID 166942699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).