1-(cyclopentylamino)but-3-en-2-one

C9H15NO — CID 116559036

IUPAC1-(cyclopentylamino)but-3-en-2-one
SMILESC=CC(=O)CNC1CCCC1
InChIInChI=1S/C9H15NO/c1-2-9(11)7-10-8-5-3-4-6-8/h2,8,10H,1,3-7H2
InChIKeyDAYLAQWTALFEKZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds4

About 1-(cyclopentylamino)but-3-en-2-one

1-(cyclopentylamino)but-3-en-2-one (PubChem CID 116559036) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(cyclopentylamino)but-3-en-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)but-3-en-2-one
PubChem CID116559036
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(cyclopentylamino)but-3-en-2-one
SMILESC=CC(=O)CNC1CCCC1
InChIInChI=1S/C9H15NO/c1-2-9(11)7-10-8-5-3-4-6-8/h2,8,10H,1,3-7H2
InChIKeyDAYLAQWTALFEKZ-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(cyclohexylamino)acetamide
CID 13444045
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
1-(cyclopentylamino)pent-4-yn-2-one
CID 116558943
2-(cyclopentylamino)-N-(3-ethenoxypropyl)acetamide
CID 61273703
N-(2,3-dichloroprop-2-enyl)cyclopentanamine
CID 79167999
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
N-carbamoyl-2-(cycloheptylamino)acetamide
CID 43236721
2-(cyclopentylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114009223

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)but-3-en-2-one?
The IUPAC name of 1-(cyclopentylamino)but-3-en-2-one (CID 116559036) is 1-(cyclopentylamino)but-3-en-2-one.
What is the SMILES notation for 1-(cyclopentylamino)but-3-en-2-one?
The canonical SMILES for 1-(cyclopentylamino)but-3-en-2-one is C=CC(=O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)but-3-en-2-one?
The InChIKey is DAYLAQWTALFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11)7-10-8-5-3-4-6-8/h2,8,10H,1,3-7H2.
What are the key properties of 1-(cyclopentylamino)but-3-en-2-one?
1-(cyclopentylamino)but-3-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)but-3-en-2-one is sourced from PubChem (CID 116559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).