[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone

C11H18N2O — CID 178190634

IUPAC[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@H]2CCNC[C@H]21
InChIInChI=1S/C11H18N2O/c14-11(9-1-2-9)13-6-4-8-3-5-12-7-10(8)13/h8-10,12H,1-7H2/t8-,10-/m1/s1
InChIKeyQFMZAWRMHSKOLB-PSASIEDQSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone

[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone (PubChem CID 178190634) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone
PubChem CID178190634
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@H]2CCNC[C@H]21
InChIInChI=1S/C11H18N2O/c14-11(9-1-2-9)13-6-4-8-3-5-12-7-10(8)13/h8-10,12H,1-7H2/t8-,10-/m1/s1
InChIKeyQFMZAWRMHSKOLB-PSASIEDQSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 134496171
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylate;methanol
CID 144976875
(1R,6S)-3,8-diazabicyclo[4.2.0]octane-8-carboxylic acid
CID 68697896
2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl-(5-bromofuran-2-yl)methanone
CID 68604035
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 57481548
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
acetic acid;1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 126534781
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
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 43596676

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone (CID 178190634) is [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC[C@H]2CCNC[C@H]21.
What is the InChIKey of [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone?
The InChIKey is QFMZAWRMHSKOLB-PSASIEDQSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(9-1-2-9)13-6-4-8-3-5-12-7-10(8)13/h8-10,12H,1-7H2/t8-,10-/m1/s1.
What are the key properties of [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone?
[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 178190634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).