9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

C18H27NO — CID 171608221

IUPAC9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(C)c1cc2c(c(C3CC3)c1)OCCN(C(C)C)C2
InChIInChI=1S/C18H27NO/c1-12(2)15-9-16-11-19(13(3)4)7-8-20-18(16)17(10-15)14-5-6-14/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyRLNAVPKHNVVSOW-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.29
Rot. Bonds3

About 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 171608221) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID171608221
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(C)c1cc2c(c(C3CC3)c1)OCCN(C(C)C)C2
InChIInChI=1S/C18H27NO/c1-12(2)15-9-16-11-19(13(3)4)7-8-20-18(16)17(10-15)14-5-6-14/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyRLNAVPKHNVVSOW-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 171608240
7-(2,6-dimethoxyphenyl)-9-methoxy-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42239412
1,9-dicyclohexyl-11-hydroxy-3,7-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 153431509
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
O-[1,9-dicyclohexyl-11-oxo-3,7-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]hydroxylamine
CID 163779587
7-butan-2-yl-9-chloro-4-(3-methylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 166552960
3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one
CID 167337393
9-methoxy-7-(6-methoxy-2-pyridinyl)-4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42275217
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
3-cyclopropyl-2-methyl-5-propan-2-ylpyridine
CID 142320143
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine
CID 156851277
8-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene
CID 89290968

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 171608221) is 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine is CC(C)c1cc2c(c(C3CC3)c1)OCCN(C(C)C)C2.
What is the InChIKey of 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is RLNAVPKHNVVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(2)15-9-16-11-19(13(3)4)7-8-20-18(16)17(10-15)14-5-6-14/h9-10,12-14H,5-8,11H2,1-4H3.
What are the key properties of 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 273.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 171608221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).