1-chloropentane;2,3-dihydropyridine

C10H18ClN — CID 70419697

IUPAC1-chloropentane;2,3-dihydropyridine
SMILESC1=CCCN=C1.CCCCCCl
InChIInChI=1S/C5H11Cl.C5H7N/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-2,4H,3,5H2
InChIKeyNSOIDWGNVDNJAI-UHFFFAOYSA-N
MW187.71 g/mol
LogP3.43
Rot. Bonds3

About 1-chloropentane;2,3-dihydropyridine

1-chloropentane;2,3-dihydropyridine (PubChem CID 70419697) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 1-chloropentane;2,3-dihydropyridine.

Molecular Properties

Compound Name1-chloropentane;2,3-dihydropyridine
PubChem CID70419697
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name1-chloropentane;2,3-dihydropyridine
SMILESC1=CCCN=C1.CCCCCCl
InChIInChI=1S/C5H11Cl.C5H7N/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-2,4H,3,5H2
InChIKeyNSOIDWGNVDNJAI-UHFFFAOYSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2,3-dihydropyridine?
The IUPAC name of 1-chloropentane;2,3-dihydropyridine (CID 70419697) is 1-chloropentane;2,3-dihydropyridine.
What is the SMILES notation for 1-chloropentane;2,3-dihydropyridine?
The canonical SMILES for 1-chloropentane;2,3-dihydropyridine is C1=CCCN=C1.CCCCCCl.
What is the InChIKey of 1-chloropentane;2,3-dihydropyridine?
The InChIKey is NSOIDWGNVDNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C5H7N/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-2,4H,3,5H2.
What are the key properties of 1-chloropentane;2,3-dihydropyridine?
1-chloropentane;2,3-dihydropyridine has a molecular weight of 187.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2,3-dihydropyridine is sourced from PubChem (CID 70419697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).