3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene

C14H18N2O — CID 91077605

IUPAC3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCCNCC2
InChIInChI=1S/C14H18N2O/c1-2-5-12(6-3-1)13-11-14(17-16-13)7-4-9-15-10-8-14/h1-3,5-6,11,15-16H,4,7-10H2
InChIKeyHUFSLUVMGKUPQZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds1

About 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene

3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene (PubChem CID 91077605) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
PubChem CID91077605
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCCNCC2
InChIInChI=1S/C14H18N2O/c1-2-5-12(6-3-1)13-11-14(17-16-13)7-4-9-15-10-8-14/h1-3,5-6,11,15-16H,4,7-10H2
InChIKeyHUFSLUVMGKUPQZ-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
3-Phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91310425
3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91503266
9-Benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
CID 91554495
3-(2-Phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91595851
6-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91614864
3-(2-Phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 123962123
N-butyl-3-(1-phenylethylamino)oxybuta-1,3-dien-2-amine
CID 167163831

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The IUPAC name of 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene (CID 91077605) is 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene.
What is the SMILES notation for 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The canonical SMILES for 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene is C1=C(c2ccccc2)NOC12CCCNCC2.
What is the InChIKey of 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The InChIKey is HUFSLUVMGKUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-5-12(6-3-1)13-11-14(17-16-13)7-4-9-15-10-8-14/h1-3,5-6,11,15-16H,4,7-10H2.
What are the key properties of 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene has a molecular weight of 230.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene is sourced from PubChem (CID 91077605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).