(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide

C10H15ClN2O — CID 123204961

IUPAC(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide
SMILES[H]/N=N/C(=O)/C(=C/C)CC(Cl)=CC(C)C
InChIInChI=1S/C10H15ClN2O/c1-4-8(10(14)13-12)6-9(11)5-7(2)3/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5?,13-12+
InChIKeyNROUGPFWEMFWCB-LIGCPDBMSA-N
MW214.70 g/mol
LogP3.66
Rot. Bonds4

About (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide

(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide (PubChem CID 123204961) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide.

Molecular Properties

Compound Name(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide
PubChem CID123204961
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide
SMILES[H]/N=N/C(=O)/C(=C/C)CC(Cl)=CC(C)C
InChIInChI=1S/C10H15ClN2O/c1-4-8(10(14)13-12)6-9(11)5-7(2)3/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5?,13-12+
InChIKeyNROUGPFWEMFWCB-LIGCPDBMSA-N
XLogP3.66
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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 (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide?
The IUPAC name of (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide (CID 123204961) is (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide.
What is the SMILES notation for (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide?
The canonical SMILES for (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide is [H]/N=N/C(=O)/C(=C/C)CC(Cl)=CC(C)C.
What is the InChIKey of (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide?
The InChIKey is NROUGPFWEMFWCB-LIGCPDBMSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-4-8(10(14)13-12)6-9(11)5-7(2)3/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5?,13-12+.
What are the key properties of (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide?
(2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide has a molecular weight of 214.70 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-2-ethylidene-N-imino-6-methylhept-4-enamide is sourced from PubChem (CID 123204961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).