cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile

C7H11N — CID 89002737

IUPACcis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
SMILESCC(C)[C@H]1C[C@@H]1C#N
InChIInChI=1S/C7H11N/c1-5(2)7-3-6(7)4-8/h5-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyBHKWBOSVLCLBQT-RNFRBKRXSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile

cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile (PubChem CID 89002737) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
PubChem CID89002737
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namecis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
SMILESCC(C)[C@H]1C[C@@H]1C#N
InChIInChI=1S/C7H11N/c1-5(2)7-3-6(7)4-8/h5-7H,3H2,1-2H3/t6-,7-/m1/s1
InChIKeyBHKWBOSVLCLBQT-RNFRBKRXSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile (CID 89002737) is cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile is CC(C)[C@H]1C[C@@H]1C#N.
What is the InChIKey of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile?
The InChIKey is BHKWBOSVLCLBQT-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11N/c1-5(2)7-3-6(7)4-8/h5-7H,3H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile?
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 89002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).