cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile

C10H15N — CID 89186279

IUPACcis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile
SMILESCC(C)=C[C@@H]1[C@H](C#N)C1(C)C
InChIInChI=1S/C10H15N/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9H,1-4H3/t8-,9+/m1/s1
InChIKeyWDSAIUNCHKDXDU-BDAKNGLRSA-N
MW149.24 g/mol
LogP2.75
Rot. Bonds1

About cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile

cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile (PubChem CID 89186279) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile
PubChem CID89186279
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile
SMILESCC(C)=C[C@@H]1[C@H](C#N)C1(C)C
InChIInChI=1S/C10H15N/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9H,1-4H3/t8-,9+/m1/s1
InChIKeyWDSAIUNCHKDXDU-BDAKNGLRSA-N
XLogP2.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile (CID 89186279) is cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile is CC(C)=C[C@@H]1[C@H](C#N)C1(C)C.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile?
The InChIKey is WDSAIUNCHKDXDU-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9H,1-4H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile?
cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 89186279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).