1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile

C10H15N3O — CID 126987866

IUPAC1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
SMILESCCN1CC(N2CC(C#N)CC2=O)C1
InChIInChI=1S/C10H15N3O/c1-2-12-6-9(7-12)13-5-8(4-11)3-10(13)14/h8-9H,2-3,5-7H2,1H3
InChIKeyIHLQEDANCWZXMJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.06
Rot. Bonds2

About 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile

1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile (PubChem CID 126987866) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
PubChem CID126987866
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
SMILESCCN1CC(N2CC(C#N)CC2=O)C1
InChIInChI=1S/C10H15N3O/c1-2-12-6-9(7-12)13-5-8(4-11)3-10(13)14/h8-9H,2-3,5-7H2,1H3
InChIKeyIHLQEDANCWZXMJ-UHFFFAOYSA-N
XLogP0.06
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile
CID 42259961
1-(1-butan-2-ylpiperidin-4-yl)-5-oxopyrrolidine-3-carbonitrile
CID 117005653
5-oxo-1-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-3-carbonitrile
CID 117005786
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168500448
1-(3-ethyl-4-methylphenyl)-5-oxopyrrolidine-3-carbonitrile
CID 114250549
1-(1-ethylpiperidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669798
(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile
CID 167308554
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
1-(1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 79786447
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonitrile
CID 42260431

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile (CID 126987866) is 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile is CCN1CC(N2CC(C#N)CC2=O)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is IHLQEDANCWZXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-12-6-9(7-12)13-5-8(4-11)3-10(13)14/h8-9H,2-3,5-7H2,1H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile?
1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 126987866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).