3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one

C12H17NO — CID 106177622

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one
SMILESO=C1C=C(NCCC2=CCCC2)CC1
InChIInChI=1S/C12H17NO/c14-12-6-5-11(9-12)13-8-7-10-3-1-2-4-10/h3,9,13H,1-2,4-8H2
InChIKeyIBVUWAKGXVTYNN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds4

About 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one

3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one (PubChem CID 106177622) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one
PubChem CID106177622
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one
SMILESO=C1C=C(NCCC2=CCCC2)CC1
InChIInChI=1S/C12H17NO/c14-12-6-5-11(9-12)13-8-7-10-3-1-2-4-10/h3,9,13H,1-2,4-8H2
InChIKeyIBVUWAKGXVTYNN-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 106166027
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3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
CID 106173593
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazol-2-amine
CID 106177509
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
CID 107363227
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 103844281

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one (CID 106177622) is 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one is O=C1C=C(NCCC2=CCCC2)CC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one?
The InChIKey is IBVUWAKGXVTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-6-5-11(9-12)13-8-7-10-3-1-2-4-10/h3,9,13H,1-2,4-8H2.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one?
3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 106177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).