1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one

C10H15NO — CID 116601420

IUPAC1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one
SMILESCC#CCCC(=O)C1(CN)CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9(12)10(8-11)6-7-10/h4-8,11H2,1H3
InChIKeyFJMZVLAMBPQRDX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.10
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one

1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one (PubChem CID 116601420) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one
PubChem CID116601420
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one
SMILESCC#CCCC(=O)C1(CN)CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9(12)10(8-11)6-7-10/h4-8,11H2,1H3
InChIKeyFJMZVLAMBPQRDX-UHFFFAOYSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one (CID 116601420) is 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one is CC#CCCC(=O)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one?
The InChIKey is FJMZVLAMBPQRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-9(12)10(8-11)6-7-10/h4-8,11H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one?
1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]hex-4-yn-1-one is sourced from PubChem (CID 116601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).