cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile

C19H16N2 — CID 11065586

IUPACcis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@H]1C[C@]1(C#N)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2/c1-2-17-13-19(17,14-20)21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13H2/t17-,19+/m0/s1
InChIKeyOUQKWLVLWDVJLA-PKOBYXMFSA-N
MW272.35 g/mol
LogP3.99
Rot. Bonds4

About cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile

cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile (PubChem CID 11065586) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile
PubChem CID11065586
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Namecis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@H]1C[C@]1(C#N)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2/c1-2-17-13-19(17,14-20)21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13H2/t17-,19+/m0/s1
InChIKeyOUQKWLVLWDVJLA-PKOBYXMFSA-N
XLogP3.99
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile (CID 11065586) is cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile is C=C[C@H]1C[C@]1(C#N)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile?
The InChIKey is OUQKWLVLWDVJLA-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-17-13-19(17,14-20)21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13H2/t17-,19+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile?
cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 11065586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).