7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine

C12H14ClN — CID 90103083

IUPAC7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine
SMILESC=C1CN(C)CCc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-9-8-14(2)6-5-10-3-4-11(13)7-12(9)10/h3-4,7H,1,5-6,8H2,2H3
InChIKeyMBBLBJIGZGDKGH-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.84
Rot. Bonds

About 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine

7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine (PubChem CID 90103083) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine
PubChem CID90103083
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine
SMILESC=C1CN(C)CCc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-9-8-14(2)6-5-10-3-4-11(13)7-12(9)10/h3-4,7H,1,5-6,8H2,2H3
InChIKeyMBBLBJIGZGDKGH-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine?
The IUPAC name of 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine (CID 90103083) is 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine.
What is the SMILES notation for 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine?
The canonical SMILES for 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine is C=C1CN(C)CCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine?
The InChIKey is MBBLBJIGZGDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-9-8-14(2)6-5-10-3-4-11(13)7-12(9)10/h3-4,7H,1,5-6,8H2,2H3.
What are the key properties of 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine?
7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine has a molecular weight of 207.70 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine is sourced from PubChem (CID 90103083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).