1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one

C9H13NO — CID 165471471

IUPAC1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one
SMILESC#CCCC(=O)C1(NC)CC1
InChIInChI=1S/C9H13NO/c1-3-4-5-8(11)9(10-2)6-7-9/h1,10H,4-7H2,2H3
InChIKeyDBKARIQFVDENPS-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.72
Rot. Bonds4

About 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one

1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one (PubChem CID 165471471) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one.

Molecular Properties

Compound Name1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one
PubChem CID165471471
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one
SMILESC#CCCC(=O)C1(NC)CC1
InChIInChI=1S/C9H13NO/c1-3-4-5-8(11)9(10-2)6-7-9/h1,10H,4-7H2,2H3
InChIKeyDBKARIQFVDENPS-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.72
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-(methylamino)cyclopropyl]pent-4-yn-1-one?
The IUPAC name of 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one (CID 165471471) is 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one.
What is the SMILES notation for 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one?
The canonical SMILES for 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one is C#CCCC(=O)C1(NC)CC1.
What is the InChIKey of 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one?
The InChIKey is DBKARIQFVDENPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-8(11)9(10-2)6-7-9/h1,10H,4-7H2,2H3.
What are the key properties of 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one?
1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one has a molecular weight of 151.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)cyclopropyl]pent-4-yn-1-one is sourced from PubChem (CID 165471471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).