spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]

C12H21NO — CID 45098810

IUPACspiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
SMILESC1CCN2CCOC3(CCCC3)C2C1
InChIInChI=1S/C12H21NO/c1-4-8-13-9-10-14-12(11(13)5-1)6-2-3-7-12/h11H,1-10H2
InChIKeySXUQESUGFUCHMX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.18
Rot. Bonds

About spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]

spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] (PubChem CID 45098810) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane].

Molecular Properties

Compound Namespiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
PubChem CID45098810
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namespiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
SMILESC1CCN2CCOC3(CCCC3)C2C1
InChIInChI=1S/C12H21NO/c1-4-8-13-9-10-14-12(11(13)5-1)6-2-3-7-12/h11H,1-10H2
InChIKeySXUQESUGFUCHMX-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] with MolForge

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Related Compounds

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CID 156803348
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CID 165469741
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one
CID 131669561
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
1-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715
1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
CID 170965690
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
6-oxaspiro[4.5]decan-10-amine
CID 121318257
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299

Frequently Asked Questions

What is the IUPAC name of spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]?
The IUPAC name of spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] (CID 45098810) is spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane].
What is the SMILES notation for spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]?
The canonical SMILES for spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] is C1CCN2CCOC3(CCCC3)C2C1.
What is the InChIKey of spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]?
The InChIKey is SXUQESUGFUCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-8-13-9-10-14-12(11(13)5-1)6-2-3-7-12/h11H,1-10H2.
What are the key properties of spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]?
spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] has a molecular weight of 195.31 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane] is sourced from PubChem (CID 45098810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).