CID 101155174

C7H11 — CID 101155174

IUPAC—
SMILES[CH2]C1(CC=C)CC1
InChIInChI=1S/C7H11/c1-3-4-7(2)5-6-7/h3H,1-2,4-6H2
InChIKeyGTXQMOLHIHENCK-UHFFFAOYSA-N
MW95.16 g/mol
LogP2.18
Rot. Bonds2

About CID 101155174

CID 101155174 (PubChem CID 101155174) has the molecular formula C7H11 and a molecular weight of 95.16 g/mol.

Molecular Properties

Compound NameCID 101155174
PubChem CID101155174
Molecular FormulaC7H11
Molecular Weight95.16 g/mol
Exact Mass95.09
IUPAC Name—
SMILES[CH2]C1(CC=C)CC1
InChIInChI=1S/C7H11/c1-3-4-7(2)5-6-7/h3H,1-2,4-6H2
InChIKeyGTXQMOLHIHENCK-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101155174?
The IUPAC name of CID 101155174 (CID 101155174) is not available.
What is the SMILES notation for CID 101155174?
The canonical SMILES for CID 101155174 is [CH2]C1(CC=C)CC1.
What is the InChIKey of CID 101155174?
The InChIKey is GTXQMOLHIHENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11/c1-3-4-7(2)5-6-7/h3H,1-2,4-6H2.
What are the key properties of CID 101155174?
CID 101155174 has a molecular weight of 95.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101155174 is sourced from PubChem (CID 101155174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).