CID 5475849

C7H10N — CID 5475849

IUPAC—
SMILESCC1=C[N]CC(C)=C1
InChIInChI=1S/C7H10N/c1-6-3-7(2)5-8-4-6/h3-4H,5H2,1-2H3
InChIKeyGKMIUSKYBZZGPN-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.45
Rot. Bonds

About CID 5475849

CID 5475849 (PubChem CID 5475849) has the molecular formula C7H10N and a molecular weight of 108.16 g/mol.

Molecular Properties

Compound NameCID 5475849
PubChem CID5475849
Molecular FormulaC7H10N
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name—
SMILESCC1=C[N]CC(C)=C1
InChIInChI=1S/C7H10N/c1-6-3-7(2)5-8-4-6/h3-4H,5H2,1-2H3
InChIKeyGKMIUSKYBZZGPN-UHFFFAOYSA-N
XLogP1.45
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5475849?
The IUPAC name of CID 5475849 (CID 5475849) is not available.
What is the SMILES notation for CID 5475849?
The canonical SMILES for CID 5475849 is CC1=C[N]CC(C)=C1.
What is the InChIKey of CID 5475849?
The InChIKey is GKMIUSKYBZZGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-6-3-7(2)5-8-4-6/h3-4H,5H2,1-2H3.
What are the key properties of CID 5475849?
CID 5475849 has a molecular weight of 108.16 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5475849 is sourced from PubChem (CID 5475849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).