1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde

C11H13NO — CID 143152801

IUPAC1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc(C2(C=O)CC2)c(N)c1
InChIInChI=1S/C11H13NO/c1-8-2-3-9(10(12)6-8)11(7-13)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyPLNHMCHGGHPGKP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds2

About 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde

1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 143152801) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde
PubChem CID143152801
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc(C2(C=O)CC2)c(N)c1
InChIInChI=1S/C11H13NO/c1-8-2-3-9(10(12)6-8)11(7-13)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyPLNHMCHGGHPGKP-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde (CID 143152801) is 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde is Cc1ccc(C2(C=O)CC2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is PLNHMCHGGHPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-2-3-9(10(12)6-8)11(7-13)4-5-11/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde?
1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 143152801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).