1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one

C9H13NO — CID 178190903

IUPAC1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one
SMILESCC#CCC(=O)[C@H]1C[C@H]1CN
InChIInChI=1S/C9H13NO/c1-2-3-4-9(11)8-5-7(8)6-10/h7-8H,4-6,10H2,1H3/t7-,8-/m0/s1
InChIKeySGCSKSVAYCRNSL-YUMQZZPRSA-N
MW151.21 g/mol
LogP0.56
Rot. Bonds3

About 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one

1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one (PubChem CID 178190903) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one
PubChem CID178190903
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one
SMILESCC#CCC(=O)[C@H]1C[C@H]1CN
InChIInChI=1S/C9H13NO/c1-2-3-4-9(11)8-5-7(8)6-10/h7-8H,4-6,10H2,1H3/t7-,8-/m0/s1
InChIKeySGCSKSVAYCRNSL-YUMQZZPRSA-N
XLogP0.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.56
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-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one?
The IUPAC name of 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one (CID 178190903) is 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one?
The canonical SMILES for 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one is CC#CCC(=O)[C@H]1C[C@H]1CN.
What is the InChIKey of 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one?
The InChIKey is SGCSKSVAYCRNSL-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-4-9(11)8-5-7(8)6-10/h7-8H,4-6,10H2,1H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one?
1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one has a molecular weight of 151.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(aminomethyl)cyclopropyl]pent-3-yn-1-one is sourced from PubChem (CID 178190903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).