3-(1-aminocyclopropyl)benzaldehyde

C10H11NO — CID 55296050

IUPAC3-(1-aminocyclopropyl)benzaldehyde
SMILESNC1(c2cccc(C=O)c2)CC1
InChIInChI=1S/C10H11NO/c11-10(4-5-10)9-3-1-2-8(6-9)7-12/h1-3,6-7H,4-5,11H2
InChIKeyGYYOJXWMXWDLIL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.45
Rot. Bonds2

About 3-(1-aminocyclopropyl)benzaldehyde

3-(1-aminocyclopropyl)benzaldehyde (PubChem CID 55296050) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)benzaldehyde.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)benzaldehyde
PubChem CID55296050
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(1-aminocyclopropyl)benzaldehyde
SMILESNC1(c2cccc(C=O)c2)CC1
InChIInChI=1S/C10H11NO/c11-10(4-5-10)9-3-1-2-8(6-9)7-12/h1-3,6-7H,4-5,11H2
InChIKeyGYYOJXWMXWDLIL-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.45
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 3-(1-aminocyclopropyl)benzaldehyde?
The IUPAC name of 3-(1-aminocyclopropyl)benzaldehyde (CID 55296050) is 3-(1-aminocyclopropyl)benzaldehyde.
What is the SMILES notation for 3-(1-aminocyclopropyl)benzaldehyde?
The canonical SMILES for 3-(1-aminocyclopropyl)benzaldehyde is NC1(c2cccc(C=O)c2)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)benzaldehyde?
The InChIKey is GYYOJXWMXWDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-10(4-5-10)9-3-1-2-8(6-9)7-12/h1-3,6-7H,4-5,11H2.
What are the key properties of 3-(1-aminocyclopropyl)benzaldehyde?
3-(1-aminocyclopropyl)benzaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)benzaldehyde is sourced from PubChem (CID 55296050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).