1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one

C18H27N3O — CID 131696541

IUPAC1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESC=CCN1CCCC12CCN(C(=O)CCc1ccc[nH]1)CC2
InChIInChI=1S/C18H27N3O/c1-2-12-21-13-4-8-18(21)9-14-20(15-10-18)17(22)7-6-16-5-3-11-19-16/h2-3,5,11,19H,1,4,6-10,12-15H2
InChIKeyIPLJYRZUVLJEPK-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.59
Rot. Bonds5

About 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one

1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 131696541) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID131696541
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESC=CCN1CCCC12CCN(C(=O)CCc1ccc[nH]1)CC2
InChIInChI=1S/C18H27N3O/c1-2-12-21-13-4-8-18(21)9-14-20(15-10-18)17(22)7-6-16-5-3-11-19-16/h2-3,5,11,19H,1,4,6-10,12-15H2
InChIKeyIPLJYRZUVLJEPK-UHFFFAOYSA-N
XLogP2.59
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
1-(11-prop-2-enyl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131686245
(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97385696
(5S,9S)-9-methyl-2-prop-2-enyl-7-[3-(1H-pyrrol-2-yl)propanoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131688296
1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131691561
1-(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689474
4-(2-hydroxyethyl)-1-methyl-9-[3-(1H-pyrrol-2-yl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131690775
3-phenyl-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110808352
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-2-yl)methanone
CID 97493572
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 110685207
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
formic acid;2-(pyridin-4-ylmethyl)-8-[3-(1H-pyrrol-2-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870326

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one (CID 131696541) is 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one is C=CCN1CCCC12CCN(C(=O)CCc1ccc[nH]1)CC2.
What is the InChIKey of 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is IPLJYRZUVLJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-12-21-13-4-8-18(21)9-14-20(15-10-18)17(22)7-6-16-5-3-11-19-16/h2-3,5,11,19H,1,4,6-10,12-15H2.
What are the key properties of 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 131696541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).