1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

C10H13FN2O — CID 122692037

IUPAC1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESC[C@@]1(F)CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C10H13FN2O/c1-9(11)4-5-13(7-9)8(14)10(6-12)2-3-10/h2-5,7H2,1H3/t9-/m1/s1
InChIKeyYBRRKEYPHCXFQG-SECBINFHSA-N
MW196.22 g/mol
LogP1.25
Rot. Bonds1

About 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 122692037) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID122692037
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESC[C@@]1(F)CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C10H13FN2O/c1-9(11)4-5-13(7-9)8(14)10(6-12)2-3-10/h2-5,7H2,1H3/t9-/m1/s1
InChIKeyYBRRKEYPHCXFQG-SECBINFHSA-N
XLogP1.25
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 122692037) is 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is C[C@@]1(F)CCN(C(=O)C2(C#N)CC2)C1.
What is the InChIKey of 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is YBRRKEYPHCXFQG-SECBINFHSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-9(11)4-5-13(7-9)8(14)10(6-12)2-3-10/h2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 196.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 122692037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).