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

C18H30N2O3 — CID 153344597

IUPAC4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2
InChIInChI=1S/C18H30N2O3/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18/h15-16,21H,4-12H2,1-3H3/b14-13-
InChIKeyGZKIHNHDVYHQJO-YPKPFQOOSA-N
MW322.45 g/mol
LogP2.47
Rot. Bonds4

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

4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 153344597) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID153344597
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2
InChIInChI=1S/C18H30N2O3/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18/h15-16,21H,4-12H2,1-3H3/b14-13-
InChIKeyGZKIHNHDVYHQJO-YPKPFQOOSA-N
XLogP2.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.47
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 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 153344597) is 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2.
What is the InChIKey of 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GZKIHNHDVYHQJO-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18/h15-16,21H,4-12H2,1-3H3/b14-13-.
What are the key properties of 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 153344597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).