CID 58273326

C7H12N — CID 58273326

IUPAC—
SMILESC[C](C#N)CC(C)C
InChIInChI=1S/C7H12N/c1-6(2)4-7(3)5-8/h6H,4H2,1-3H3
InChIKeyVTRAQUJXSRUADZ-UHFFFAOYSA-N
MW110.18 g/mol
LogP2.15
Rot. Bonds2

About CID 58273326

CID 58273326 (PubChem CID 58273326) has the molecular formula C7H12N and a molecular weight of 110.18 g/mol.

Molecular Properties

Compound NameCID 58273326
PubChem CID58273326
Molecular FormulaC7H12N
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name—
SMILESC[C](C#N)CC(C)C
InChIInChI=1S/C7H12N/c1-6(2)4-7(3)5-8/h6H,4H2,1-3H3
InChIKeyVTRAQUJXSRUADZ-UHFFFAOYSA-N
XLogP2.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58273326?
The IUPAC name of CID 58273326 (CID 58273326) is not available.
What is the SMILES notation for CID 58273326?
The canonical SMILES for CID 58273326 is C[C](C#N)CC(C)C.
What is the InChIKey of CID 58273326?
The InChIKey is VTRAQUJXSRUADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-6(2)4-7(3)5-8/h6H,4H2,1-3H3.
What are the key properties of CID 58273326?
CID 58273326 has a molecular weight of 110.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58273326 is sourced from PubChem (CID 58273326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).