(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone

C13H19N3O — CID 131687718

IUPAC(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
SMILESCCN1CCC12CCN(C(=O)c1cc[nH]c1)C2
InChIInChI=1S/C13H19N3O/c1-2-16-8-5-13(16)4-7-15(10-13)12(17)11-3-6-14-9-11/h3,6,9,14H,2,4-5,7-8,10H2,1H3
InChIKeyAWMSFUBPMNGJRH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds2

About (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone

(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 131687718) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID131687718
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
SMILESCCN1CCC12CCN(C(=O)c1cc[nH]c1)C2
InChIInChI=1S/C13H19N3O/c1-2-16-8-5-13(16)4-7-15(10-13)12(17)11-3-6-14-9-11/h3,6,9,14H,2,4-5,7-8,10H2,1H3
InChIKeyAWMSFUBPMNGJRH-UHFFFAOYSA-N
XLogP1.33
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131687181
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97112786
[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131688880
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202030
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone (CID 131687718) is (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone is CCN1CCC12CCN(C(=O)c1cc[nH]c1)C2.
What is the InChIKey of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is AWMSFUBPMNGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16-8-5-13(16)4-7-15(10-13)12(17)11-3-6-14-9-11/h3,6,9,14H,2,4-5,7-8,10H2,1H3.
What are the key properties of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone?
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131687718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).