10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine

C23H31NO — CID 147849974

IUPAC10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine
SMILESC1=CCCC=1C1CCC2C(C1)OC1CC=CCC1N2C1C=CCCC1
InChIInChI=1S/C23H31NO/c1-2-10-19(11-3-1)24-20-12-6-7-13-22(20)25-23-16-18(14-15-21(23)24)17-8-4-5-9-17/h2,4,6-7,10,18-23H,1,3,5,9,11-16H2
InChIKeyHUPYTWMJKVBQDX-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.93
Rot. Bonds2

About 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine

10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine (PubChem CID 147849974) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine.

Molecular Properties

Compound Name10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine
PubChem CID147849974
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine
SMILESC1=CCCC=1C1CCC2C(C1)OC1CC=CCC1N2C1C=CCCC1
InChIInChI=1S/C23H31NO/c1-2-10-19(11-3-1)24-20-12-6-7-13-22(20)25-23-16-18(14-15-21(23)24)17-8-4-5-9-17/h2,4,6-7,10,18-23H,1,3,5,9,11-16H2
InChIKeyHUPYTWMJKVBQDX-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine?
The IUPAC name of 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine (CID 147849974) is 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine.
What is the SMILES notation for 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine?
The canonical SMILES for 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine is C1=CCCC=1C1CCC2C(C1)OC1CC=CCC1N2C1C=CCCC1.
What is the InChIKey of 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine?
The InChIKey is HUPYTWMJKVBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-10-19(11-3-1)24-20-12-6-7-13-22(20)25-23-16-18(14-15-21(23)24)17-8-4-5-9-17/h2,4,6-7,10,18-23H,1,3,5,9,11-16H2.
What are the key properties of 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine?
10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine has a molecular weight of 337.51 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohex-2-en-1-yl-3-cyclopenta-1,2-dien-1-yl-1,2,3,4,4a,5a,6,9,9a,10a-decahydrophenoxazine is sourced from PubChem (CID 147849974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).