7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine

C9H14N2 — CID 22959184

IUPAC7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine
SMILESC=C1CC(C(C)C)=NC=CN1
InChIInChI=1S/C9H14N2/c1-7(2)9-6-8(3)10-4-5-11-9/h4-5,7,10H,3,6H2,1-2H3
InChIKeyMXQJWWMVXDTYAY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds1

About 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine

7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine (PubChem CID 22959184) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine.

Molecular Properties

Compound Name7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine
PubChem CID22959184
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine
SMILESC=C1CC(C(C)C)=NC=CN1
InChIInChI=1S/C9H14N2/c1-7(2)9-6-8(3)10-4-5-11-9/h4-5,7,10H,3,6H2,1-2H3
InChIKeyMXQJWWMVXDTYAY-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine?
The IUPAC name of 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine (CID 22959184) is 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine.
What is the SMILES notation for 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine?
The canonical SMILES for 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine is C=C1CC(C(C)C)=NC=CN1.
What is the InChIKey of 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine?
The InChIKey is MXQJWWMVXDTYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-6-8(3)10-4-5-11-9/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine?
7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5-propan-2-yl-1,6-dihydro-1,4-diazepine is sourced from PubChem (CID 22959184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).