3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine

C11H15N — CID 167340168

IUPAC3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
SMILESCC(C)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C11H15N/c1-8(2)10-6-11(10)9-4-3-5-12-7-9/h3-5,7-8,10-11H,6H2,1-2H3/t10-,11-/m1/s1
InChIKeyKNYOOZPGMVDFSM-GHMZBOCLSA-N
MW161.25 g/mol
LogP2.84
Rot. Bonds2

About 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine

3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine (PubChem CID 167340168) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine.

Molecular Properties

Compound Name3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
PubChem CID167340168
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
SMILESCC(C)[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C11H15N/c1-8(2)10-6-11(10)9-4-3-5-12-7-9/h3-5,7-8,10-11H,6H2,1-2H3/t10-,11-/m1/s1
InChIKeyKNYOOZPGMVDFSM-GHMZBOCLSA-N
XLogP2.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
3-(2-methylcyclobutyl)pyridine
CID 174716389
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
dimethyl-phenyl-[(1S,2R)-2-pyridin-3-ylcyclopropyl]silane
CID 134966228
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367
4-methyl-2-pyridin-3-ylcyclohexan-1-amine
CID 81013157
3-(2-bromocyclobutyl)pyridine
CID 142785630
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine?
The IUPAC name of 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine (CID 167340168) is 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine.
What is the SMILES notation for 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine?
The canonical SMILES for 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine is CC(C)[C@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine?
The InChIKey is KNYOOZPGMVDFSM-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15N/c1-8(2)10-6-11(10)9-4-3-5-12-7-9/h3-5,7-8,10-11H,6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine?
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine is sourced from PubChem (CID 167340168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).