(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine

C11H14N2 — CID 121278261

IUPAC(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1C[C@@H](C)Nc2ccccc2N1
InChIInChI=1S/C11H14N2/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8/h3-6,9,12-13H,1,7H2,2H3/t9-/m1/s1
InChIKeyMBDRVZVHUKDJSM-SECBINFHSA-N
MW174.25 g/mol
LogP2.82
Rot. Bonds

About (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine

(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine (PubChem CID 121278261) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine
PubChem CID121278261
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1C[C@@H](C)Nc2ccccc2N1
InChIInChI=1S/C11H14N2/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8/h3-6,9,12-13H,1,7H2,2H3/t9-/m1/s1
InChIKeyMBDRVZVHUKDJSM-SECBINFHSA-N
XLogP2.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine (CID 121278261) is (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine is C=C1C[C@@H](C)Nc2ccccc2N1.
What is the InChIKey of (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is MBDRVZVHUKDJSM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8/h3-6,9,12-13H,1,7H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine?
(2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 174.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-methylidene-1,2,3,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 121278261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).