2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine

C17H23NO — CID 55171616

IUPAC2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCC1(C)CC2NCC(C3CC3)OC2c2ccccc21
InChIInChI=1S/C17H23NO/c1-17(2)9-14-16(12-5-3-4-6-13(12)17)19-15(10-18-14)11-7-8-11/h3-6,11,14-16,18H,7-10H2,1-2H3
InChIKeyJILNLPVQZIMHER-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.18
Rot. Bonds1

About 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine

2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine (PubChem CID 55171616) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine.

Molecular Properties

Compound Name2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine
PubChem CID55171616
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCC1(C)CC2NCC(C3CC3)OC2c2ccccc21
InChIInChI=1S/C17H23NO/c1-17(2)9-14-16(12-5-3-4-6-13(12)17)19-15(10-18-14)11-7-8-11/h3-6,11,14-16,18H,7-10H2,1-2H3
InChIKeyJILNLPVQZIMHER-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine with MolForge

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Related Compounds

6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
CID 62522506
3,6,6-trimethyl-1,2,3,4a,5,10b-hexahydrobenzo[f][1,4]benzothiazine
CID 66244327
1-(4-chlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 82026848
3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 130128997
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
3,7,7-trimethyl-2,3,4,5a,6,11b-hexahydro-1H-benzo[g][1,5]benzothiazepine 5,5-dioxide
CID 66226636
2-(4-chlorophenyl)-6-cyclopropyl-3-methylmorpholine
CID 63297543
2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine
CID 63296972
1-ethynyl-3,3-dimethyl-1,2-dihydroindene
CID 142633929
4,7,7-trimethyl-2,3,4,5a,6,11b-hexahydro-1H-benzo[g][1,5]benzothiazepine 5-oxide
CID 66227169
3,3-dimethyl-1-[(Z)-prop-1-enyl]-1,2-dihydroindene
CID 144661541
2-cyclopropyl-6-(2-methoxyphenyl)morpholine
CID 63297411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine?
The IUPAC name of 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine (CID 55171616) is 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine.
What is the SMILES notation for 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine?
The canonical SMILES for 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine is CC1(C)CC2NCC(C3CC3)OC2c2ccccc21.
What is the InChIKey of 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine?
The InChIKey is JILNLPVQZIMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2)9-14-16(12-5-3-4-6-13(12)17)19-15(10-18-14)11-7-8-11/h3-6,11,14-16,18H,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine?
2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine has a molecular weight of 257.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,6-dimethyl-2,3,4,4a,5,10b-hexahydrobenzo[h][1,4]benzoxazine is sourced from PubChem (CID 55171616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).