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

C10H18N2O — CID 104788324

IUPAC3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
SMILESCC(CNC1=CC(=O)CC1)N(C)C
InChIInChI=1S/C10H18N2O/c1-8(12(2)3)7-11-9-4-5-10(13)6-9/h6,8,11H,4-5,7H2,1-3H3
InChIKeyPIJRCWHALWLDFF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds4

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

3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one (PubChem CID 104788324) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
PubChem CID104788324
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
SMILESCC(CNC1=CC(=O)CC1)N(C)C
InChIInChI=1S/C10H18N2O/c1-8(12(2)3)7-11-9-4-5-10(13)6-9/h6,8,11H,4-5,7H2,1-3H3
InChIKeyPIJRCWHALWLDFF-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethoxyethylamino)cyclopent-2-en-1-one
CID 107390055
N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
CID 104788236
3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
CID 104788205
3-(decylamino)cyclopent-2-en-1-one
CID 113453186
N-(2-methylpropyl)-3-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788701
3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
CID 104788518
3-(2,3,3-trimethylbutan-2-ylamino)cyclopent-2-en-1-one
CID 130701568
3-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]cyclopent-2-en-1-one
CID 137444693
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 61043811
3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one
CID 104788283
3-(hexylamino)cyclohex-2-en-1-one
CID 137320218

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one (CID 104788324) is 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one is CC(CNC1=CC(=O)CC1)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one?
The InChIKey is PIJRCWHALWLDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(12(2)3)7-11-9-4-5-10(13)6-9/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one?
3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).