cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile

C11H11NO2 — CID 101394824

IUPACcis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile
SMILESCO[C@]1(/C=C/c2ccco2)C[C@H]1C#N
InChIInChI=1S/C11H11NO2/c1-13-11(7-9(11)8-12)5-4-10-3-2-6-14-10/h2-6,9H,7H2,1H3/b5-4+/t9-,11+/m0/s1
InChIKeyNBSMBGNWIZNXCX-ALWPCLGOSA-N
MW189.21 g/mol
LogP2.22
Rot. Bonds3

About cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile

cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile (PubChem CID 101394824) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile
PubChem CID101394824
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namecis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile
SMILESCO[C@]1(/C=C/c2ccco2)C[C@H]1C#N
InChIInChI=1S/C11H11NO2/c1-13-11(7-9(11)8-12)5-4-10-3-2-6-14-10/h2-6,9H,7H2,1H3/b5-4+/t9-,11+/m0/s1
InChIKeyNBSMBGNWIZNXCX-ALWPCLGOSA-N
XLogP2.22
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile (CID 101394824) is cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile is CO[C@]1(/C=C/c2ccco2)C[C@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile?
The InChIKey is NBSMBGNWIZNXCX-ALWPCLGOSA-N. The full InChI is InChI=1S/C11H11NO2/c1-13-11(7-9(11)8-12)5-4-10-3-2-6-14-10/h2-6,9H,7H2,1H3/b5-4+/t9-,11+/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile?
cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile is sourced from PubChem (CID 101394824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).