(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide

C11H16N2O — CID 176757814

IUPAC(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C/C1CC1
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-10(14)9(7-12)6-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14)/b9-6+
InChIKeyIRWZKJQAAANOSC-RMKNXTFCSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds2

About (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide

(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide (PubChem CID 176757814) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide
PubChem CID176757814
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C/C1CC1
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-10(14)9(7-12)6-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14)/b9-6+
InChIKeyIRWZKJQAAANOSC-RMKNXTFCSA-N
XLogP1.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
CID 108837831
1-[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108837678
(Z)-3-(1-adamantylamino)-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837897
2-[[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108837710
(Z)-3-[bis(2-methylpropyl)amino]-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837886
(Z)-3-[1-(1-adamantyl)ethylamino]-N-tert-butyl-2-cyanoprop-2-enamide
CID 108837706
2-[[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-3-methylbutanoic acid
CID 108837714
(Z)-3-cyclopropyl-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile
CID 118234163
(E)-3-cyclopropyl-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile
CID 146681972
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
ethyl 1-[(Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-3-carboxylate
CID 108837793
(Z)-N-tert-butyl-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
CID 108837804

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide (CID 176757814) is (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide is CC(C)(C)NC(=O)/C(C#N)=C/C1CC1.
What is the InChIKey of (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide?
The InChIKey is IRWZKJQAAANOSC-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)13-10(14)9(7-12)6-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14)/b9-6+.
What are the key properties of (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide?
(E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-cyano-3-cyclopropylprop-2-enamide is sourced from PubChem (CID 176757814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).