(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one

C16H28N2O2 — CID 97124391

IUPAC(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CCCN1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C16H28N2O2/c1-14(2)5-3-8-17-10-7-16(13-17)6-4-9-18(11-12-19)15(16)20/h5,19H,3-4,6-13H2,1-2H3/t16-/m0/s1
InChIKeyISKYEXKJQRWTFS-INIZCTEOSA-N
MW280.41 g/mol
LogP1.65
Rot. Bonds5

About (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97124391) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97124391
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CCCN1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C16H28N2O2/c1-14(2)5-3-8-17-10-7-16(13-17)6-4-9-18(11-12-19)15(16)20/h5,19H,3-4,6-13H2,1-2H3/t16-/m0/s1
InChIKeyISKYEXKJQRWTFS-INIZCTEOSA-N
XLogP1.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97124391) is (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)=CCCN1CC[C@@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ISKYEXKJQRWTFS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-14(2)5-3-8-17-10-7-16(13-17)6-4-9-18(11-12-19)15(16)20/h5,19H,3-4,6-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 280.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).