1-chloropentane;1H-quinolin-2-one

C14H18ClNO — CID 174326674

IUPAC1-chloropentane;1H-quinolin-2-one
SMILESCCCCCCl.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-3-4-5-6/h1-6H,(H,10,11);2-5H2,1H3
InChIKeyBOJANXYOOVCEGB-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.94
Rot. Bonds3

About 1-chloropentane;1H-quinolin-2-one

1-chloropentane;1H-quinolin-2-one (PubChem CID 174326674) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-chloropentane;1H-quinolin-2-one.

Molecular Properties

Compound Name1-chloropentane;1H-quinolin-2-one
PubChem CID174326674
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-chloropentane;1H-quinolin-2-one
SMILESCCCCCCl.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-3-4-5-6/h1-6H,(H,10,11);2-5H2,1H3
InChIKeyBOJANXYOOVCEGB-UHFFFAOYSA-N
XLogP3.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
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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Related Compounds

molecular hydrogen;propane;1H-quinolin-2-one
CID 142067755
neodymium;1H-quinolin-2-one
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CID 172719311
1-chloropentane;1H-indole
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hydrazine;1H-quinolin-2-one
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CID 71436806
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CID 144829550
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CID 159271091
7-butyl-1H-quinolin-2-one
CID 119093138
2-ethyl-1H-azepine;1H-quinolin-2-one
CID 174887038
heptane;1H-indole
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1-chloropentane;perylene
CID 174651563

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;1H-quinolin-2-one?
The IUPAC name of 1-chloropentane;1H-quinolin-2-one (CID 174326674) is 1-chloropentane;1H-quinolin-2-one.
What is the SMILES notation for 1-chloropentane;1H-quinolin-2-one?
The canonical SMILES for 1-chloropentane;1H-quinolin-2-one is CCCCCCl.O=c1ccc2ccccc2[nH]1.
What is the InChIKey of 1-chloropentane;1H-quinolin-2-one?
The InChIKey is BOJANXYOOVCEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-3-4-5-6/h1-6H,(H,10,11);2-5H2,1H3.
What are the key properties of 1-chloropentane;1H-quinolin-2-one?
1-chloropentane;1H-quinolin-2-one has a molecular weight of 251.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;1H-quinolin-2-one is sourced from PubChem (CID 174326674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).