7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine

C9H14N2 — CID 143815335

IUPAC7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine
SMILESC=C1CCC2=NCCCCN12
InChIInChI=1S/C9H14N2/c1-8-4-5-9-10-6-2-3-7-11(8)9/h1-7H2
InChIKeyLTADUMOVAHELLP-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.79
Rot. Bonds

About 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine

7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine (PubChem CID 143815335) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine.

Molecular Properties

Compound Name7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine
PubChem CID143815335
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine
SMILESC=C1CCC2=NCCCCN12
InChIInChI=1S/C9H14N2/c1-8-4-5-9-10-6-2-3-7-11(8)9/h1-7H2
InChIKeyLTADUMOVAHELLP-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine?
The IUPAC name of 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine (CID 143815335) is 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine.
What is the SMILES notation for 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine?
The canonical SMILES for 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine is C=C1CCC2=NCCCCN12.
What is the InChIKey of 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine?
The InChIKey is LTADUMOVAHELLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-4-5-9-10-6-2-3-7-11(8)9/h1-7H2.
What are the key properties of 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine?
7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine has a molecular weight of 150.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2,3,4,5,8,9-hexahydropyrrolo[1,2-a][1,3]diazepine is sourced from PubChem (CID 143815335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).