[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone

C16H23N3O — CID 97481759

IUPAC[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
SMILESC=CCN1CCC[C@]12CCCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H23N3O/c1-2-10-19-12-5-8-16(19)7-4-11-18(13-16)15(20)14-6-3-9-17-14/h2-3,6,9,17H,1,4-5,7-8,10-13H2/t16-/m0/s1
InChIKeyYCSRFCGZTQPQNO-INIZCTEOSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds3

About [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone

[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97481759) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97481759
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
SMILESC=CCN1CCC[C@]12CCCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H23N3O/c1-2-10-19-12-5-8-16(19)7-4-11-18(13-16)15(20)14-6-3-9-17-14/h2-3,6,9,17H,1,4-5,7-8,10-13H2/t16-/m0/s1
InChIKeyYCSRFCGZTQPQNO-INIZCTEOSA-N
XLogP2.27
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
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

1-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131696541
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-2-yl)methanone
CID 97493572
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 131690978
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
CID 97393465
(1-methylpyrrol-2-yl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97385696
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 97481852
N-(3-methoxyphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 131661531
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985
1-(1H-pyrrol-2-yl)but-3-en-1-one
CID 68802026

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone (CID 97481759) is [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone is C=CCN1CCC[C@]12CCCN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is YCSRFCGZTQPQNO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19-12-5-8-16(19)7-4-11-18(13-16)15(20)14-6-3-9-17-14/h2-3,6,9,17H,1,4-5,7-8,10-13H2/t16-/m0/s1.
What are the key properties of [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone?
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97481759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).