(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide

C11H16N4O — CID 92643615

IUPAC(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide
SMILESCN(C)/C=C(/C#N)C(=O)/N=C1\CCCN1C
InChIInChI=1S/C11H16N4O/c1-14(2)8-9(7-12)11(16)13-10-5-4-6-15(10)3/h8H,4-6H2,1-3H3/b9-8-,13-10+
InChIKeyPXFAKUUOSMYETG-JQHRQWORSA-N
MW220.28 g/mol
LogP0.61
Rot. Bonds2

About (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide

(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide (PubChem CID 92643615) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide
PubChem CID92643615
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide
SMILESCN(C)/C=C(/C#N)C(=O)/N=C1\CCCN1C
InChIInChI=1S/C11H16N4O/c1-14(2)8-9(7-12)11(16)13-10-5-4-6-15(10)3/h8H,4-6H2,1-3H3/b9-8-,13-10+
InChIKeyPXFAKUUOSMYETG-JQHRQWORSA-N
XLogP0.61
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
CID 54167556
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine
CID 91177351
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
(E)-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(dimethylamino)prop-2-enamide
CID 139315219
(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 2799781
2-(dimethylaminomethylidene)-4,4,5,5,5-pentafluoro-3-oxopentanenitrile
CID 59146508
3-(dimethylamino)-2-(1-methylpyrrole-2-carbonyl)prop-2-enenitrile
CID 54196567
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-pentylurea
CID 15585200
(2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid
CID 3064594
2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetamide
CID 947380

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide (CID 92643615) is (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide is CN(C)/C=C(/C#N)C(=O)/N=C1\CCCN1C.
What is the InChIKey of (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide?
The InChIKey is PXFAKUUOSMYETG-JQHRQWORSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14(2)8-9(7-12)11(16)13-10-5-4-6-15(10)3/h8H,4-6H2,1-3H3/b9-8-,13-10+.
What are the key properties of (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide?
(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide has a molecular weight of 220.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide is sourced from PubChem (CID 92643615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).