CID 139245192

C11H13N — CID 139245192

IUPAC—
SMILESCN1[C]C2(/C=C\C=C/C=C\1)CC2
InChIInChI=1S/C11H13N/c1-12-9-5-3-2-4-6-11(10-12)7-8-11/h2-6,9H,7-8H2,1H3/b3-2-,6-4-,9-5-
InChIKeyVCGMVDHEPRLCJN-TWXIHNAPSA-N
MW159.23 g/mol
LogP2.38
Rot. Bonds

About CID 139245192

CID 139245192 (PubChem CID 139245192) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol.

Molecular Properties

Compound NameCID 139245192
PubChem CID139245192
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name—
SMILESCN1[C]C2(/C=C\C=C/C=C\1)CC2
InChIInChI=1S/C11H13N/c1-12-9-5-3-2-4-6-11(10-12)7-8-11/h2-6,9H,7-8H2,1H3/b3-2-,6-4-,9-5-
InChIKeyVCGMVDHEPRLCJN-TWXIHNAPSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 139245192?
The IUPAC name of CID 139245192 (CID 139245192) is not available.
What is the SMILES notation for CID 139245192?
The canonical SMILES for CID 139245192 is CN1[C]C2(/C=C\C=C/C=C\1)CC2.
What is the InChIKey of CID 139245192?
The InChIKey is VCGMVDHEPRLCJN-TWXIHNAPSA-N. The full InChI is InChI=1S/C11H13N/c1-12-9-5-3-2-4-6-11(10-12)7-8-11/h2-6,9H,7-8H2,1H3/b3-2-,6-4-,9-5-.
What are the key properties of CID 139245192?
CID 139245192 has a molecular weight of 159.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245192 is sourced from PubChem (CID 139245192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).