(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone

C8H14N2O — CID 15864838

IUPAC(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC1NC1C(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c1-6-7(9-6)8(11)10-4-2-3-5-10/h6-7,9H,2-5H2,1H3
InChIKeyHXWVNYUBMSASCA-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds1

About (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone

(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 15864838) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID15864838
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC1NC1C(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c1-6-7(9-6)8(11)10-4-2-3-5-10/h6-7,9H,2-5H2,1H3
InChIKeyHXWVNYUBMSASCA-UHFFFAOYSA-N
XLogP-0.03
TPSA42.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
[(2R,3S)-2-methyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-piperidin-1-ylmethanone
CID 92583172
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone (CID 15864838) is (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone is CC1NC1C(=O)N1CCCC1.
What is the InChIKey of (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is HXWVNYUBMSASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-7(9-6)8(11)10-4-2-3-5-10/h6-7,9H,2-5H2,1H3.
What are the key properties of (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone?
(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 154.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 15864838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).