3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile

C8H11NO — CID 130826261

IUPAC3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile
SMILESCC[C@@H]1C[C@H]1C(=O)CC#N
InChIInChI=1S/C8H11NO/c1-2-6-5-7(6)8(10)3-4-9/h6-7H,2-3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFCWYRISXDRBFES-RNFRBKRXSA-N
MW137.18 g/mol
LogP1.52
Rot. Bonds3

About 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile

3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile (PubChem CID 130826261) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile
PubChem CID130826261
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile
SMILESCC[C@@H]1C[C@H]1C(=O)CC#N
InChIInChI=1S/C8H11NO/c1-2-6-5-7(6)8(10)3-4-9/h6-7H,2-3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFCWYRISXDRBFES-RNFRBKRXSA-N
XLogP1.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile?
The IUPAC name of 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile (CID 130826261) is 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile is CC[C@@H]1C[C@H]1C(=O)CC#N.
What is the InChIKey of 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile?
The InChIKey is FCWYRISXDRBFES-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-5-7(6)8(10)3-4-9/h6-7H,2-3,5H2,1H3/t6-,7-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile?
3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile is sourced from PubChem (CID 130826261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).