(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C10H18N2 — CID 153393083

IUPAC(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC=C(C)N1CCCC2CNC[C@@H]21
InChIInChI=1S/C10H18N2/c1-8(2)12-5-3-4-9-6-11-7-10(9)12/h9-11H,1,3-7H2,2H3/t9?,10-/m0/s1
InChIKeyCDRUGQUWFZJXQB-AXDSSHIGSA-N
MW166.27 g/mol
LogP1.20
Rot. Bonds1

About (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 153393083) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID153393083
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC=C(C)N1CCCC2CNC[C@@H]21
InChIInChI=1S/C10H18N2/c1-8(2)12-5-3-4-9-6-11-7-10(9)12/h9-11H,1,3-7H2,2H3/t9?,10-/m0/s1
InChIKeyCDRUGQUWFZJXQB-AXDSSHIGSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 22633033
methyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 89278598
N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680559
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680557
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 102679386
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)hexan-1-one
CID 102679446
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propoxyethanone
CID 107940234
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)methanone
CID 102679060
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
CID 102679333
(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine;tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 161427506
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2,6-dihydroxyphenyl)methanone
CID 107690450
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)pentan-3-ol
CID 102681942

Frequently Asked Questions

What is the IUPAC name of (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 153393083) is (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is C=C(C)N1CCCC2CNC[C@@H]21.
What is the InChIKey of (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is CDRUGQUWFZJXQB-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-5-3-4-9-6-11-7-10(9)12/h9-11H,1,3-7H2,2H3/t9?,10-/m0/s1.
What are the key properties of (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
(7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 166.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1-prop-1-en-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 153393083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).