2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione

C15H23NO2 — CID 2372898

IUPAC2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione
SMILESCCCCC(=C1C(=O)CCCC1=O)N1CCCC1
InChIInChI=1S/C15H23NO2/c1-2-3-7-12(16-10-4-5-11-16)15-13(17)8-6-9-14(15)18/h2-11H2,1H3
InChIKeyCHUWVMCTAYASBV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds4

About 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione

2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione (PubChem CID 2372898) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione
PubChem CID2372898
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione
SMILESCCCCC(=C1C(=O)CCCC1=O)N1CCCC1
InChIInChI=1S/C15H23NO2/c1-2-3-7-12(16-10-4-5-11-16)15-13(17)8-6-9-14(15)18/h2-11H2,1H3
InChIKeyCHUWVMCTAYASBV-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-Acetyl-3-(1-piperidinyl)-2-cyclopenten-1-one
CID 788502
2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 301501
5,5-Dimethyl-2-(pyrrolidinylethylidene)cyclohexane-1,3-dione
CID 788250
2-Acetyl-3-pyrrolidin-1-yl-cyclohex-2-enone
CID 2751149
2-Cyclopentenone, 2-acetyl-3-(1-pyrrolidinyl)-
CID 540323
1-[2-(Pyrrolidin-1-yl)cyclopent-1-en-1-yl]ethanone
CID 85870029
3-Methyl-2-(1-pyrrolidinyl)-2-cyclohexen-1-one
CID 15553226
2-Ethyl-3,6-dimethyl-5-pyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
CID 117733004
2-Ethyl-5,6-dimethyl-3-pyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
CID 138515759
2-[1-(Dimethylamino)ethylidene]cyclohexane-1,3-dione
CID 164091518
2-Acetyl-3-[di(propan-2-yl)amino]cyclopent-2-en-1-one
CID 1917024
2-(1-Pyrrolidin-1-ylpropylidene)cyclohexane-1,3-dione
CID 3293774

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione?
The IUPAC name of 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione (CID 2372898) is 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione?
The canonical SMILES for 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione is CCCCC(=C1C(=O)CCCC1=O)N1CCCC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione?
The InChIKey is CHUWVMCTAYASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-7-12(16-10-4-5-11-16)15-13(17)8-6-9-14(15)18/h2-11H2,1H3.
What are the key properties of 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione?
2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione has a molecular weight of 249.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione is sourced from PubChem (CID 2372898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).