cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine

C6H9N3 — CID 10986211

IUPACcis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyOWWNABDDYQLERE-CRCLSJGQSA-N
MW123.16 g/mol
LogP0.22
Rot. Bonds1

About cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine

cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine (PubChem CID 10986211) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
PubChem CID10986211
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Namecis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyOWWNABDDYQLERE-CRCLSJGQSA-N
XLogP0.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine (CID 10986211) is cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine is N[C@@H]1C[C@@H]1c1cnc[nH]1.
What is the InChIKey of cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The InChIKey is OWWNABDDYQLERE-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine has a molecular weight of 123.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(1H-imidazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 10986211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).