CID 134898449

C5H7 — CID 134898449

IUPAC—
SMILES[CH2]/C=C\C=C
InChIInChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3-
InChIKeyDVOOWDFPPNOBFV-HYXAFXHYSA-N
MW67.11 g/mol
LogP1.56
Rot. Bonds1

About CID 134898449

CID 134898449 (PubChem CID 134898449) has the molecular formula C5H7 and a molecular weight of 67.11 g/mol.

Molecular Properties

Compound NameCID 134898449
PubChem CID134898449
Molecular FormulaC5H7
Molecular Weight67.11 g/mol
Exact Mass67.05
IUPAC Name—
SMILES[CH2]/C=C\C=C
InChIInChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3-
InChIKeyDVOOWDFPPNOBFV-HYXAFXHYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 102151090
(3E)-penta-1,3-diene
CID 71777643
(1E)-1-chlorobuta-1,3-diene
CID 5462923
buta-1,3-diene
CID 7845
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
zinc bis((3E)-penta-1,3-diene)
CID 46703737
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
lithium (1E)-buta-1,3-diene-1-thiolate
CID 101484179
buta-1,3-dienylaluminum(2+) dichloride
CID 88807207

Frequently Asked Questions

What is the IUPAC name of CID 134898449?
The IUPAC name of CID 134898449 (CID 134898449) is not available.
What is the SMILES notation for CID 134898449?
The canonical SMILES for CID 134898449 is [CH2]/C=C\C=C.
What is the InChIKey of CID 134898449?
The InChIKey is DVOOWDFPPNOBFV-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3-.
What are the key properties of CID 134898449?
CID 134898449 has a molecular weight of 67.11 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898449 is sourced from PubChem (CID 134898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).