(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane

C11H22N2O — CID 164561643

IUPAC(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane
SMILESCC.CN(C)CC/C=C1\CCNC1=O
InChIInChI=1S/C9H16N2O.C2H6/c1-11(2)7-3-4-8-5-6-10-9(8)12;1-2/h4H,3,5-7H2,1-2H3,(H,10,12);1-2H3/b8-4+;
InChIKeyAESBCGAULAMEJQ-ZFXMFRGYSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds3

About (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane

(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane (PubChem CID 164561643) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane
PubChem CID164561643
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane
SMILESCC.CN(C)CC/C=C1\CCNC1=O
InChIInChI=1S/C9H16N2O.C2H6/c1-11(2)7-3-4-8-5-6-10-9(8)12;1-2/h4H,3,5-7H2,1-2H3,(H,10,12);1-2H3/b8-4+;
InChIKeyAESBCGAULAMEJQ-ZFXMFRGYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
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

(3E)-3-(methoxymethylidene)pyrrolidin-2-one
CID 55299377
(3Z)-3-pentylidenepiperidine-2,6-dione
CID 123499320
(3E)-3-butylideneazetidin-2-one
CID 55298756
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
CID 167479014
(3E)-3-[2-(2-iodoethoxy)ethylidene]piperidin-2-one
CID 101412959
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
3-(dimethylamino)propanethial
CID 22120397
1-[2-(dimethylamino)ethyl]-3-[(E)-(7-fluoro-1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)methyl]urea
CID 59789226
3-(dimethylamino)propanethial;hydron
CID 174363168
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one
CID 123322697

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane?
The IUPAC name of (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane (CID 164561643) is (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane.
What is the SMILES notation for (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane?
The canonical SMILES for (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane is CC.CN(C)CC/C=C1\CCNC1=O.
What is the InChIKey of (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane?
The InChIKey is AESBCGAULAMEJQ-ZFXMFRGYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-11(2)7-3-4-8-5-6-10-9(8)12;1-2/h4H,3,5-7H2,1-2H3,(H,10,12);1-2H3/b8-4+;.
What are the key properties of (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane?
(3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane has a molecular weight of 198.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[3-(dimethylamino)propylidene]pyrrolidin-2-one;ethane is sourced from PubChem (CID 164561643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).