1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one

C10H17NO — CID 58143359

IUPAC1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one
SMILESCC(=O)CC1(N(C)C)CC=CC1
InChIInChI=1S/C10H17NO/c1-9(12)8-10(11(2)3)6-4-5-7-10/h4-5H,6-8H2,1-3H3
InChIKeyOTIFTRIFOCMYBI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one

1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one (PubChem CID 58143359) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one
PubChem CID58143359
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one
SMILESCC(=O)CC1(N(C)C)CC=CC1
InChIInChI=1S/C10H17NO/c1-9(12)8-10(11(2)3)6-4-5-7-10/h4-5H,6-8H2,1-3H3
InChIKeyOTIFTRIFOCMYBI-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one?
The IUPAC name of 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one (CID 58143359) is 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one?
The canonical SMILES for 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one is CC(=O)CC1(N(C)C)CC=CC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one?
The InChIKey is OTIFTRIFOCMYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(12)8-10(11(2)3)6-4-5-7-10/h4-5H,6-8H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one?
1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopent-3-en-1-yl]propan-2-one is sourced from PubChem (CID 58143359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).