(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine

C10H13ClN2 — CID 153392430

IUPAC(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine
SMILESC=C1/C=C(CC)\C=N/CN/C=C\1Cl
InChIInChI=1S/C10H13ClN2/c1-3-9-4-8(2)10(11)6-13-7-12-5-9/h4-6,13H,2-3,7H2,1H3/b9-4-,10-6+,12-5-
InChIKeyFLVRNOQZHKCXSL-HJPXURSVSA-N
MW196.68 g/mol
LogP2.59
Rot. Bonds1

About (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine

(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine (PubChem CID 153392430) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine.

Molecular Properties

Compound Name(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine
PubChem CID153392430
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine
SMILESC=C1/C=C(CC)\C=N/CN/C=C\1Cl
InChIInChI=1S/C10H13ClN2/c1-3-9-4-8(2)10(11)6-13-7-12-5-9/h4-6,13H,2-3,7H2,1H3/b9-4-,10-6+,12-5-
InChIKeyFLVRNOQZHKCXSL-HJPXURSVSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-1H-pyrimidine
CID 141985325
3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 171654967
3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
CID 171654971
(1Z,3Z)-N-[2-(chloromethyl)-3-methyliminoprop-1-enyl]-2-ethylpenta-1,3-dien-1-amine
CID 173909122
2-Methyl-5-(2-methylprop-1-enyl)-1,2-dihydropyrimidine
CID 153540160
5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2-dihydropyrimidine
CID 165129127
3-(Ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine
CID 178058636

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine?
The IUPAC name of (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine (CID 153392430) is (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine.
What is the SMILES notation for (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine?
The canonical SMILES for (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine is C=C1/C=C(CC)\C=N/CN/C=C\1Cl.
What is the InChIKey of (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine?
The InChIKey is FLVRNOQZHKCXSL-HJPXURSVSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-3-9-4-8(2)10(11)6-13-7-12-5-9/h4-6,13H,2-3,7H2,1H3/b9-4-,10-6+,12-5-.
What are the key properties of (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine?
(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine has a molecular weight of 196.68 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine is sourced from PubChem (CID 153392430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).