2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine

C13H16N2 — CID 155072943

IUPAC2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(cccc2C(=C)C)N1
InChIInChI=1S/C13H16N2/c1-9(2)11-5-4-6-12-13(11)14-8-7-10(3)15-12/h4-6,14-15H,1,3,7-8H2,2H3
InChIKeyLOQLQMUYQDENBN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.46
Rot. Bonds1

About 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine

2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 155072943) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID155072943
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(cccc2C(=C)C)N1
InChIInChI=1S/C13H16N2/c1-9(2)11-5-4-6-12-13(11)14-8-7-10(3)15-12/h4-6,14-15H,1,3,7-8H2,2H3
InChIKeyLOQLQMUYQDENBN-UHFFFAOYSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile
CID 155072962
6-[4-[(Z)-but-2-en-2-yl]-3-methylphenyl]-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 145058340
2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155072945
6-(7-bromo-1-methylindol-2-yl)-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073182
6-(1-ethylindol-2-yl)-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073257
2-methylidene-6-(1-methyl-3-propylindol-2-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073184
4-fluorobenzenethiolate;6-indol-1-id-2-yl-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine;tungsten(2+)
CID 145058335
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
6-[6-bromo-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155072955
3-prop-1-en-2-ylbenzene-1,2-diamine
CID 19760771
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine (CID 155072943) is 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine is C=C1CCNc2c(cccc2C(=C)C)N1.
What is the InChIKey of 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is LOQLQMUYQDENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)11-5-4-6-12-13(11)14-8-7-10(3)15-12/h4-6,14-15H,1,3,7-8H2,2H3.
What are the key properties of 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine?
2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 200.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 155072943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).