1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile

C15H22N2O2 — CID 61461468

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOC3CCCC32)CCCCC1
InChIInChI=1S/C15H22N2O2/c16-11-15(7-2-1-3-8-15)14(18)17-9-10-19-13-6-4-5-12(13)17/h12-13H,1-10H2
InChIKeyVNONINCIGAXLCK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.24
Rot. Bonds1

About 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 61461468) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile
PubChem CID61461468
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOC3CCCC32)CCCCC1
InChIInChI=1S/C15H22N2O2/c16-11-15(7-2-1-3-8-15)14(18)17-9-10-19-13-6-4-5-12(13)17/h12-13H,1-10H2
InChIKeyVNONINCIGAXLCK-UHFFFAOYSA-N
XLogP2.24
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile (CID 61461468) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CCOC3CCCC32)CCCCC1.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is VNONINCIGAXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-15(7-2-1-3-8-15)14(18)17-9-10-19-13-6-4-5-12(13)17/h12-13H,1-10H2.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 262.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 61461468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).