CID 139243577

C9H11N — CID 139243577

IUPAC—
SMILESC=C1C=CN(C)[C]C12CC2
InChIInChI=1S/C9H11N/c1-8-3-6-10(2)7-9(8)4-5-9/h3,6H,1,4-5H2,2H3
InChIKeyBEKSYDMAIJURMP-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.82
Rot. Bonds

About CID 139243577

CID 139243577 (PubChem CID 139243577) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol.

Molecular Properties

Compound NameCID 139243577
PubChem CID139243577
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name—
SMILESC=C1C=CN(C)[C]C12CC2
InChIInChI=1S/C9H11N/c1-8-3-6-10(2)7-9(8)4-5-9/h3,6H,1,4-5H2,2H3
InChIKeyBEKSYDMAIJURMP-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 139243577?
The IUPAC name of CID 139243577 (CID 139243577) is not available.
What is the SMILES notation for CID 139243577?
The canonical SMILES for CID 139243577 is C=C1C=CN(C)[C]C12CC2.
What is the InChIKey of CID 139243577?
The InChIKey is BEKSYDMAIJURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-8-3-6-10(2)7-9(8)4-5-9/h3,6H,1,4-5H2,2H3.
What are the key properties of CID 139243577?
CID 139243577 has a molecular weight of 133.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139243577 is sourced from PubChem (CID 139243577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).