9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one

C16H26N2O3 — CID 97450555

IUPAC9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCN(C(=O)CCOC)CC2
InChIInChI=1S/C16H26N2O3/c1-3-10-18-15(20)5-4-7-16(18)8-11-17(12-9-16)14(19)6-13-21-2/h3H,1,4-13H2,2H3
InChIKeyWULGPCZNAAKVME-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.58
Rot. Bonds5

About 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one

9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97450555) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97450555
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCN(C(=O)CCOC)CC2
InChIInChI=1S/C16H26N2O3/c1-3-10-18-15(20)5-4-7-16(18)8-11-17(12-9-16)14(19)6-13-21-2/h3H,1,4-13H2,2H3
InChIKeyWULGPCZNAAKVME-UHFFFAOYSA-N
XLogP1.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155841882
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
9-[(1-methylimidazol-2-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97385560
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one (CID 97450555) is 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCCC12CCN(C(=O)CCOC)CC2.
What is the InChIKey of 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is WULGPCZNAAKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-10-18-15(20)5-4-7-16(18)8-11-17(12-9-16)14(19)6-13-21-2/h3H,1,4-13H2,2H3.
What are the key properties of 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one?
9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 294.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxypropanoyl)-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97450555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).