2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H30N2O3 — CID 153344595

IUPAC2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O
InChIInChI=1S/C17H30N2O3/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20/h15,20H,5-12H2,1-4H3/b14-13-
InChIKeyCARSGRHUZKYPGM-YPKPFQOOSA-N
MW310.44 g/mol
LogP2.33
Rot. Bonds4

About 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 153344595) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID153344595
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O
InChIInChI=1S/C17H30N2O3/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20/h15,20H,5-12H2,1-4H3/b14-13-
InChIKeyCARSGRHUZKYPGM-YPKPFQOOSA-N
XLogP2.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 153344595) is 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O.
What is the InChIKey of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CARSGRHUZKYPGM-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20/h15,20H,5-12H2,1-4H3/b14-13-.
What are the key properties of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 310.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 153344595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).