1-(cyclopentylamino)pent-4-yn-2-one

C10H15NO — CID 116558943

IUPAC1-(cyclopentylamino)pent-4-yn-2-one
SMILESC#CCC(=O)CNC1CCCC1
InChIInChI=1S/C10H15NO/c1-2-5-10(12)8-11-9-6-3-4-7-9/h1,9,11H,3-8H2
InChIKeyXUYUQDQWMHOTHB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.11
Rot. Bonds4

About 1-(cyclopentylamino)pent-4-yn-2-one

1-(cyclopentylamino)pent-4-yn-2-one (PubChem CID 116558943) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(cyclopentylamino)pent-4-yn-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)pent-4-yn-2-one
PubChem CID116558943
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(cyclopentylamino)pent-4-yn-2-one
SMILESC#CCC(=O)CNC1CCCC1
InChIInChI=1S/C10H15NO/c1-2-5-10(12)8-11-9-6-3-4-7-9/h1,9,11H,3-8H2
InChIKeyXUYUQDQWMHOTHB-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylamino)but-3-en-2-one
CID 116559036
2-(cyclohexylamino)acetamide
CID 13444045
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
1-(cyclopentylamino)-4-ethylhexan-2-one
CID 116559114
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960
1-(cyclopentylamino)-4-methylhexan-2-one
CID 116558992
1-cycloheptyl-2-(cyclopropylamino)ethanone
CID 116555214
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(cyclohexylamino)acetic acid;cyclopentanecarboxylic acid
CID 174421767
1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
CID 116558986
1-(cyclopentylamino)-3-propoxypropan-2-one
CID 116559105
1-(cyclobutylamino)propan-2-one
CID 21335373

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)pent-4-yn-2-one?
The IUPAC name of 1-(cyclopentylamino)pent-4-yn-2-one (CID 116558943) is 1-(cyclopentylamino)pent-4-yn-2-one.
What is the SMILES notation for 1-(cyclopentylamino)pent-4-yn-2-one?
The canonical SMILES for 1-(cyclopentylamino)pent-4-yn-2-one is C#CCC(=O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)pent-4-yn-2-one?
The InChIKey is XUYUQDQWMHOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-5-10(12)8-11-9-6-3-4-7-9/h1,9,11H,3-8H2.
What are the key properties of 1-(cyclopentylamino)pent-4-yn-2-one?
1-(cyclopentylamino)pent-4-yn-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)pent-4-yn-2-one is sourced from PubChem (CID 116558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).