cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

C16H22N2O2 — CID 91924122

IUPACcyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESCOCCN1CCCN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-20-12-11-17-9-4-10-18(16(19)13-7-8-13)15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyHMNVNWRLYDKINX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds4

About cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (PubChem CID 91924122) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
PubChem CID91924122
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namecyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESCOCCN1CCCN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-20-12-11-17-9-4-10-18(16(19)13-7-8-13)15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3
InChIKeyHMNVNWRLYDKINX-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The IUPAC name of cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (CID 91924122) is cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is COCCN1CCCN(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The InChIKey is HMNVNWRLYDKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-12-11-17-9-4-10-18(16(19)13-7-8-13)15-6-3-2-5-14(15)17/h2-3,5-6,13H,4,7-12H2,1H3.
What are the key properties of cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is sourced from PubChem (CID 91924122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).