7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine

C9H14N2 — CID 22959166

IUPAC7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
SMILESC=C1C=CCN=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11)
InChIKeyGFNQTIPHRBRMHW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.71
Rot. Bonds1

About 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine

7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine (PubChem CID 22959166) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine.

Molecular Properties

Compound Name7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
PubChem CID22959166
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine
SMILESC=C1C=CCN=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11)
InChIKeyGFNQTIPHRBRMHW-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine?
The IUPAC name of 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine (CID 22959166) is 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine.
What is the SMILES notation for 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine?
The canonical SMILES for 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine is C=C1C=CCN=C(C(C)C)N1.
What is the InChIKey of 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine?
The InChIKey is GFNQTIPHRBRMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11).
What are the key properties of 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine?
7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazepine is sourced from PubChem (CID 22959166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).