(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide

C11H17N3O — CID 137398327

IUPAC(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide
SMILESCN(C1CC1)C(C)(C)/C=C(\C#N)C(N)=O
InChIInChI=1S/C11H17N3O/c1-11(2,14(3)9-4-5-9)6-8(7-12)10(13)15/h6,9H,4-5H2,1-3H3,(H2,13,15)/b8-6+
InChIKeyDNRMNWOOPYPKQS-SOFGYWHQSA-N
MW207.28 g/mol
LogP0.79
Rot. Bonds4

About (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide

(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide (PubChem CID 137398327) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide
PubChem CID137398327
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide
SMILESCN(C1CC1)C(C)(C)/C=C(\C#N)C(N)=O
InChIInChI=1S/C11H17N3O/c1-11(2,14(3)9-4-5-9)6-8(7-12)10(13)15/h6,9H,4-5H2,1-3H3,(H2,13,15)/b8-6+
InChIKeyDNRMNWOOPYPKQS-SOFGYWHQSA-N
XLogP0.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide?
The IUPAC name of (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide (CID 137398327) is (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide?
The canonical SMILES for (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide is CN(C1CC1)C(C)(C)/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide?
The InChIKey is DNRMNWOOPYPKQS-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,14(3)9-4-5-9)6-8(7-12)10(13)15/h6,9H,4-5H2,1-3H3,(H2,13,15)/b8-6+.
What are the key properties of (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide?
(E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-4-[cyclopropyl(methyl)amino]-4-methylpent-2-enamide is sourced from PubChem (CID 137398327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).