CID 58427161

C7H11N2 — CID 58427161

IUPAC—
SMILESCC1=CN=C([C@@H](C)[NH])C1
InChIInChI=1S/C7H11N2/c1-5-3-7(6(2)8)9-4-5/h4,6,8H,3H2,1-2H3/t6-/m1/s1
InChIKeyUDONHAPUOIUCOJ-ZCFIWIBFSA-N
MW123.18 g/mol
LogP1.41
Rot. Bonds1

About CID 58427161

CID 58427161 (PubChem CID 58427161) has the molecular formula C7H11N2 and a molecular weight of 123.18 g/mol.

Molecular Properties

Compound NameCID 58427161
PubChem CID58427161
Molecular FormulaC7H11N2
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name—
SMILESCC1=CN=C([C@@H](C)[NH])C1
InChIInChI=1S/C7H11N2/c1-5-3-7(6(2)8)9-4-5/h4,6,8H,3H2,1-2H3/t6-/m1/s1
InChIKeyUDONHAPUOIUCOJ-ZCFIWIBFSA-N
XLogP1.41
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58427161?
The IUPAC name of CID 58427161 (CID 58427161) is not available.
What is the SMILES notation for CID 58427161?
The canonical SMILES for CID 58427161 is CC1=CN=C([C@@H](C)[NH])C1.
What is the InChIKey of CID 58427161?
The InChIKey is UDONHAPUOIUCOJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N2/c1-5-3-7(6(2)8)9-4-5/h4,6,8H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of CID 58427161?
CID 58427161 has a molecular weight of 123.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58427161 is sourced from PubChem (CID 58427161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).