2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide

C8H12N2O2 — CID 130670272

IUPAC2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide
SMILESCC(C#N)C(=O)N[C@@H]1CC[C@H]1O
InChIInChI=1S/C8H12N2O2/c1-5(4-9)8(12)10-6-2-3-7(6)11/h5-7,11H,2-3H2,1H3,(H,10,12)/t5?,6-,7-/m1/s1
InChIKeyCFBBWSIYGWNTCB-JXBXZBNISA-N
MW168.20 g/mol
LogP-0.21
Rot. Bonds2

About 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide

2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide (PubChem CID 130670272) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide
PubChem CID130670272
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide
SMILESCC(C#N)C(=O)N[C@@H]1CC[C@H]1O
InChIInChI=1S/C8H12N2O2/c1-5(4-9)8(12)10-6-2-3-7(6)11/h5-7,11H,2-3H2,1H3,(H,10,12)/t5?,6-,7-/m1/s1
InChIKeyCFBBWSIYGWNTCB-JXBXZBNISA-N
XLogP-0.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide?
The IUPAC name of 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide (CID 130670272) is 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide?
The canonical SMILES for 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide is CC(C#N)C(=O)N[C@@H]1CC[C@H]1O.
What is the InChIKey of 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide?
The InChIKey is CFBBWSIYGWNTCB-JXBXZBNISA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(4-9)8(12)10-6-2-3-7(6)11/h5-7,11H,2-3H2,1H3,(H,10,12)/t5?,6-,7-/m1/s1.
What are the key properties of 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide?
2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide has a molecular weight of 168.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide is sourced from PubChem (CID 130670272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).