trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile

C6H10N2 — CID 89421180

IUPACtrans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile
SMILESC[C@@H](N)[C@@H]1C[C@@H]1C#N
InChIInChI=1S/C6H10N2/c1-4(8)6-2-5(6)3-7/h4-6H,2,8H2,1H3/t4-,5-,6+/m1/s1
InChIKeyBQLAHJRVBVXBDV-PBXRRBTRSA-N
MW110.16 g/mol
LogP0.49
Rot. Bonds1

About trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile

trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile (PubChem CID 89421180) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile
PubChem CID89421180
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Nametrans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile
SMILESC[C@@H](N)[C@@H]1C[C@@H]1C#N
InChIInChI=1S/C6H10N2/c1-4(8)6-2-5(6)3-7/h4-6H,2,8H2,1H3/t4-,5-,6+/m1/s1
InChIKeyBQLAHJRVBVXBDV-PBXRRBTRSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile?
The IUPAC name of trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile (CID 89421180) is trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile is C[C@@H](N)[C@@H]1C[C@@H]1C#N.
What is the InChIKey of trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile?
The InChIKey is BQLAHJRVBVXBDV-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H10N2/c1-4(8)6-2-5(6)3-7/h4-6H,2,8H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile?
trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(1R)-1-aminoethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 89421180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).