(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide

C9H15N3O — CID 108837831

IUPAC(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-8(13)7(5-10)6-11-4/h6,11H,1-4H3,(H,12,13)/b7-6-
InChIKeyIYBWKXRKVHFAQO-SREVYHEPSA-N
MW181.24 g/mol
LogP0.53
Rot. Bonds2

About (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide

(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide (PubChem CID 108837831) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
PubChem CID108837831
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-8(13)7(5-10)6-11-4/h6,11H,1-4H3,(H,12,13)/b7-6-
InChIKeyIYBWKXRKVHFAQO-SREVYHEPSA-N
XLogP0.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108837710
2-[[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-3-methylbutanoic acid
CID 108837714
(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide
CID 176757814
(Z)-3-(1-adamantylamino)-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837897
(Z)-N-tert-butyl-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
CID 108837804
(Z)-N-tert-butyl-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108837944
(Z)-N-tert-butyl-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108837747
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
(Z)-N-tert-butyl-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108837910
(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108837637
(Z)-3-[bis(2-methylpropyl)amino]-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837886
(Z)-N-tert-butyl-3-(2-chloro-4,6-dimethylanilino)-2-cyanoprop-2-enamide
CID 108837919

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide (CID 108837831) is (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide is CN/C=C(/C#N)C(=O)NC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide?
The InChIKey is IYBWKXRKVHFAQO-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)12-8(13)7(5-10)6-11-4/h6,11H,1-4H3,(H,12,13)/b7-6-.
What are the key properties of (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide?
(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 108837831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).