10-methylidene-4,5-dihydro-1H-1,3-diazecine

C9H12N2 — CID 123465078

IUPAC10-methylidene-4,5-dihydro-1H-1,3-diazecine
SMILESC=C1C=CC=CCC/N=C\N1
InChIInChI=1S/C9H12N2/c1-9-6-4-2-3-5-7-10-8-11-9/h2-4,6,8H,1,5,7H2,(H,10,11)
InChIKeyKXQPJJWHXOSJHO-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds

About 10-methylidene-4,5-dihydro-1H-1,3-diazecine

10-methylidene-4,5-dihydro-1H-1,3-diazecine (PubChem CID 123465078) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 10-methylidene-4,5-dihydro-1H-1,3-diazecine.

Molecular Properties

Compound Name10-methylidene-4,5-dihydro-1H-1,3-diazecine
PubChem CID123465078
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name10-methylidene-4,5-dihydro-1H-1,3-diazecine
SMILESC=C1C=CC=CCC/N=C\N1
InChIInChI=1S/C9H12N2/c1-9-6-4-2-3-5-7-10-8-11-9/h2-4,6,8H,1,5,7H2,(H,10,11)
InChIKeyKXQPJJWHXOSJHO-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45080488
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CID 88708143
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,7,8-Tetrahydroquinazoline
CID 91106721
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
(5Z,7Z)-9-methylidene-1,4-dihydro-1,3-diazonine
CID 117691925
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993

Frequently Asked Questions

What is the IUPAC name of 10-methylidene-4,5-dihydro-1H-1,3-diazecine?
The IUPAC name of 10-methylidene-4,5-dihydro-1H-1,3-diazecine (CID 123465078) is 10-methylidene-4,5-dihydro-1H-1,3-diazecine.
What is the SMILES notation for 10-methylidene-4,5-dihydro-1H-1,3-diazecine?
The canonical SMILES for 10-methylidene-4,5-dihydro-1H-1,3-diazecine is C=C1C=CC=CCC/N=C\N1.
What is the InChIKey of 10-methylidene-4,5-dihydro-1H-1,3-diazecine?
The InChIKey is KXQPJJWHXOSJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-9-6-4-2-3-5-7-10-8-11-9/h2-4,6,8H,1,5,7H2,(H,10,11).
What are the key properties of 10-methylidene-4,5-dihydro-1H-1,3-diazecine?
10-methylidene-4,5-dihydro-1H-1,3-diazecine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidene-4,5-dihydro-1H-1,3-diazecine is sourced from PubChem (CID 123465078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).