cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile

C6H10N2 — CID 11768533

IUPACcis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile
SMILESCC[C@H]1C[C@@]1(N)C#N
InChIInChI=1S/C6H10N2/c1-2-5-3-6(5,8)4-7/h5H,2-3,8H2,1H3/t5-,6+/m0/s1
InChIKeyRVMUCUDUXLNVFD-NTSWFWBYSA-N
MW110.16 g/mol
LogP0.64
Rot. Bonds1

About cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile

cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile (PubChem CID 11768533) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile
PubChem CID11768533
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namecis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile
SMILESCC[C@H]1C[C@@]1(N)C#N
InChIInChI=1S/C6H10N2/c1-2-5-3-6(5,8)4-7/h5H,2-3,8H2,1H3/t5-,6+/m0/s1
InChIKeyRVMUCUDUXLNVFD-NTSWFWBYSA-N
XLogP0.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile (CID 11768533) is cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile is CC[C@H]1C[C@@]1(N)C#N.
What is the InChIKey of cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile?
The InChIKey is RVMUCUDUXLNVFD-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-5-3-6(5,8)4-7/h5H,2-3,8H2,1H3/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile?
cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 11768533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).