4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C15H18N2O3 — CID 81331115

IUPAC4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1CCC(C(=O)N2CC(=O)Nc3ccccc3C2)O1
InChIInChI=1S/C15H18N2O3/c1-10-6-7-13(20-10)15(19)17-8-11-4-2-3-5-12(11)16-14(18)9-17/h2-5,10,13H,6-9H2,1H3,(H,16,18)
InChIKeyRXWZZXUJJIVMSH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds1

About 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 81331115) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID81331115
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1CCC(C(=O)N2CC(=O)Nc3ccccc3C2)O1
InChIInChI=1S/C15H18N2O3/c1-10-6-7-13(20-10)15(19)17-8-11-4-2-3-5-12(11)16-14(18)9-17/h2-5,10,13H,6-9H2,1H3,(H,16,18)
InChIKeyRXWZZXUJJIVMSH-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 81331115) is 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC1CCC(C(=O)N2CC(=O)Nc3ccccc3C2)O1.
What is the InChIKey of 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is RXWZZXUJJIVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-7-13(20-10)15(19)17-8-11-4-2-3-5-12(11)16-14(18)9-17/h2-5,10,13H,6-9H2,1H3,(H,16,18).
What are the key properties of 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 81331115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).