4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

C10H18N2 — CID 102571366

IUPAC4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESC1CC2NCCN(C3CC3)C2C1
InChIInChI=1S/C10H18N2/c1-2-9-10(3-1)12(7-6-11-9)8-4-5-8/h8-11H,1-7H2
InChIKeyIUDYSYMQKMITLB-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.98
Rot. Bonds1

About 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (PubChem CID 102571366) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
PubChem CID102571366
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESC1CC2NCCN(C3CC3)C2C1
InChIInChI=1S/C10H18N2/c1-2-9-10(3-1)12(7-6-11-9)8-4-5-8/h8-11H,1-7H2
InChIKeyIUDYSYMQKMITLB-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
CID 63256447
4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571381

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The IUPAC name of 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (CID 102571366) is 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.
What is the SMILES notation for 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The canonical SMILES for 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is C1CC2NCCN(C3CC3)C2C1.
What is the InChIKey of 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The InChIKey is IUDYSYMQKMITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-10(3-1)12(7-6-11-9)8-4-5-8/h8-11H,1-7H2.
What are the key properties of 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine has a molecular weight of 166.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 102571366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).