1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine

C11H15N3 — CID 146531975

IUPAC1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine
SMILESC/C=C\C1=CCCN=C2N(C)C=CN12
InChIInChI=1S/C11H15N3/c1-3-5-10-6-4-7-12-11-13(2)8-9-14(10)11/h3,5-6,8-9H,4,7H2,1-2H3/b5-3-
InChIKeyLDTNDNZNZDUUDL-HYXAFXHYSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds1

About 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine

1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine (PubChem CID 146531975) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine.

Molecular Properties

Compound Name1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine
PubChem CID146531975
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine
SMILESC/C=C\C1=CCCN=C2N(C)C=CN12
InChIInChI=1S/C11H15N3/c1-3-5-10-6-4-7-12-11-13(2)8-9-14(10)11/h3,5-6,8-9H,4,7H2,1-2H3/b5-3-
InChIKeyLDTNDNZNZDUUDL-HYXAFXHYSA-N
XLogP1.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine?
The IUPAC name of 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine (CID 146531975) is 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine.
What is the SMILES notation for 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine?
The canonical SMILES for 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine is C/C=C\C1=CCCN=C2N(C)C=CN12.
What is the InChIKey of 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine?
The InChIKey is LDTNDNZNZDUUDL-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-5-10-6-4-7-12-11-13(2)8-9-14(10)11/h3,5-6,8-9H,4,7H2,1-2H3/b5-3-.
What are the key properties of 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine?
1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine has a molecular weight of 189.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine is sourced from PubChem (CID 146531975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).