3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one

C14H20N2O — CID 84627160

IUPAC3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCC(C)c1ccc2c(c1)NC(=O)C(C)(C)CN2
InChIInChI=1S/C14H20N2O/c1-9(2)10-5-6-11-12(7-10)16-13(17)14(3,4)8-15-11/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyWYIDULKUEGRPNS-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.20
Rot. Bonds1

About 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one

3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 84627160) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID84627160
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCC(C)c1ccc2c(c1)NC(=O)C(C)(C)CN2
InChIInChI=1S/C14H20N2O/c1-9(2)10-5-6-11-12(7-10)16-13(17)14(3,4)8-15-11/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyWYIDULKUEGRPNS-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 84618877
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
7-fluoro-3,3,8-trimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 103594495
2,8-di(propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 59610696
3,3-difluoro-5-propan-2-yl-1H-indol-2-one
CID 119054250
7-bromo-8-fluoro-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115429310
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
3,3,6,7-tetramethyl-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 84623087
8-propan-2-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 137457123
2,2-difluoro-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 58215878
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one (CID 84627160) is 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one is CC(C)c1ccc2c(c1)NC(=O)C(C)(C)CN2.
What is the InChIKey of 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is WYIDULKUEGRPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)10-5-6-11-12(7-10)16-13(17)14(3,4)8-15-11/h5-7,9,15H,8H2,1-4H3,(H,16,17).
What are the key properties of 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one?
3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 232.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84627160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).