formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

C11H16N2O — CID 143661995

IUPACformaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESC=O.Cc1cccc2c1CNCCN2
InChIInChI=1S/C10H14N2.CH2O/c1-8-3-2-4-10-9(8)7-11-5-6-12-10;1-2/h2-4,11-12H,5-7H2,1H3;1H2
InChIKeyKHZVMWSNDGNDOX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.33
Rot. Bonds

About formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (PubChem CID 143661995) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Nameformaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
PubChem CID143661995
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameformaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESC=O.Cc1cccc2c1CNCCN2
InChIInChI=1S/C10H14N2.CH2O/c1-8-3-2-4-10-9(8)7-11-5-6-12-10;1-2/h2-4,11-12H,5-7H2,1H3;1H2
InChIKeyKHZVMWSNDGNDOX-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
4,6-dimethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 91390811
6-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine;hydrochloride
CID 23366694
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
1-tert-butyl-6-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115031038
but-1-ene;2,5,8,11-tetrazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 122553501
9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 105442254
N,N,5-trimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105444538
5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 83880773
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070

Frequently Asked Questions

What is the IUPAC name of formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The IUPAC name of formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (CID 143661995) is formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.
What is the SMILES notation for formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The canonical SMILES for formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is C=O.Cc1cccc2c1CNCCN2.
What is the InChIKey of formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The InChIKey is KHZVMWSNDGNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.CH2O/c1-8-3-2-4-10-9(8)7-11-5-6-12-10;1-2/h2-4,11-12H,5-7H2,1H3;1H2.
What are the key properties of formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine has a molecular weight of 192.26 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 143661995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).