[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C13H17N3O2 — CID 129492855

IUPAC[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C13H17N3O2/c17-13(12-7-14-4-5-15-12)16-6-3-11(8-16)18-9-10-1-2-10/h4-5,7,10-11H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyRTYOKCDGETVCEI-NSHDSACASA-N
MW247.30 g/mol
LogP1.12
Rot. Bonds4

About [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 129492855) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID129492855
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C13H17N3O2/c17-13(12-7-14-4-5-15-12)16-6-3-11(8-16)18-9-10-1-2-10/h4-5,7,10-11H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyRTYOKCDGETVCEI-NSHDSACASA-N
XLogP1.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97422517
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056346
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 129492855) is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC[C@H](OCC2CC2)C1.
What is the InChIKey of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is RTYOKCDGETVCEI-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(12-7-14-4-5-15-12)16-6-3-11(8-16)18-9-10-1-2-10/h4-5,7,10-11H,1-3,6,8-9H2/t11-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 247.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 129492855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).