(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one

C9H16N2O — CID 156623696

IUPAC(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)C/C(=C/CCN)C(=O)N1
InChIInChI=1S/C9H16N2O/c1-9(2)6-7(4-3-5-10)8(12)11-9/h4H,3,5-6,10H2,1-2H3,(H,11,12)/b7-4-
InChIKeyHMJGAXBXKHEEFE-DAXSKMNVSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds2

About (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one

(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one (PubChem CID 156623696) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one
PubChem CID156623696
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)C/C(=C/CCN)C(=O)N1
InChIInChI=1S/C9H16N2O/c1-9(2)6-7(4-3-5-10)8(12)11-9/h4H,3,5-6,10H2,1-2H3,(H,11,12)/b7-4-
InChIKeyHMJGAXBXKHEEFE-DAXSKMNVSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-propylcyclopentene-1-carboxamide
CID 71746980
4-amino-N-pentylcyclopentene-1-carboxamide
CID 71746981
(3E)-3-(4-methylpentylidene)pyrrolidin-2-one
CID 59887929
(3Z)-3-(2,2-dimethylpentylidene)pyrrolidin-2-one
CID 132242275
(3Z)-3-ethylidene-5,5-dimethylpyrrolidin-2-one
CID 133667696
7,9-Dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 139312089
(Z)-2-(pyrrolidin-2-ylmethyl)but-2-enamide
CID 141190145
3,3-dimethyl-5,6-dihydro-2H-isoindol-1-one;ethane
CID 141799601
3-(6-Aminohexylidene)pyrrolidine-2,5-dione
CID 151355046
(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide
CID 154936584
[(3Z)-3-(5,5-dimethyl-2-oxopyrrolidin-3-ylidene)propyl]carbamic acid
CID 156064706
tert-butyl N-[(3Z)-3-(5,5-dimethyl-2-oxopyrrolidin-3-ylidene)propyl]carbamate
CID 156092199

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one (CID 156623696) is (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one is CC1(C)C/C(=C/CCN)C(=O)N1.
What is the InChIKey of (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is HMJGAXBXKHEEFE-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2)6-7(4-3-5-10)8(12)11-9/h4H,3,5-6,10H2,1-2H3,(H,11,12)/b7-4-.
What are the key properties of (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one?
(3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-aminopropylidene)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 156623696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).