(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide

C11H16N2O2 — CID 163748350

IUPAC(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide
SMILESC=C(/C=C(\C)C(=O)NC1CC1)C(=O)NC
InChIInChI=1S/C11H16N2O2/c1-7(10(14)12-3)6-8(2)11(15)13-9-4-5-9/h6,9H,1,4-5H2,2-3H3,(H,12,14)(H,13,15)/b8-6+
InChIKeyLNVJTCOWTDHHNR-SOFGYWHQSA-N
MW208.26 g/mol
LogP0.51
Rot. Bonds4

About (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide

(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide (PubChem CID 163748350) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide
PubChem CID163748350
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide
SMILESC=C(/C=C(\C)C(=O)NC1CC1)C(=O)NC
InChIInChI=1S/C11H16N2O2/c1-7(10(14)12-3)6-8(2)11(15)13-9-4-5-9/h6,9H,1,4-5H2,2-3H3,(H,12,14)(H,13,15)/b8-6+
InChIKeyLNVJTCOWTDHHNR-SOFGYWHQSA-N
XLogP0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide?
The IUPAC name of (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide (CID 163748350) is (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide.
What is the SMILES notation for (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide?
The canonical SMILES for (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide is C=C(/C=C(\C)C(=O)NC1CC1)C(=O)NC.
What is the InChIKey of (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide?
The InChIKey is LNVJTCOWTDHHNR-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(10(14)12-3)6-8(2)11(15)13-9-4-5-9/h6,9H,1,4-5H2,2-3H3,(H,12,14)(H,13,15)/b8-6+.
What are the key properties of (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide?
(E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide has a molecular weight of 208.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N',2-dimethyl-4-methylidenepent-2-enediamide is sourced from PubChem (CID 163748350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).