1-chloropentane;N-pentylacetohydrazide

C12H27ClN2O — CID 175581019

IUPAC1-chloropentane;N-pentylacetohydrazide
SMILESCCCCCCl.CCCCCN(N)C(C)=O
InChIInChI=1S/C7H16N2O.C5H11Cl/c1-3-4-5-6-9(8)7(2)10;1-2-3-4-5-6/h3-6,8H2,1-2H3;2-5H2,1H3
InChIKeyUSWMPDGCQUDCCB-UHFFFAOYSA-N
MW250.81 g/mol
LogP3.31
Rot. Bonds7

About 1-chloropentane;N-pentylacetohydrazide

1-chloropentane;N-pentylacetohydrazide (PubChem CID 175581019) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-chloropentane;N-pentylacetohydrazide.

Molecular Properties

Compound Name1-chloropentane;N-pentylacetohydrazide
PubChem CID175581019
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name1-chloropentane;N-pentylacetohydrazide
SMILESCCCCCCl.CCCCCN(N)C(C)=O
InChIInChI=1S/C7H16N2O.C5H11Cl/c1-3-4-5-6-9(8)7(2)10;1-2-3-4-5-6/h3-6,8H2,1-2H3;2-5H2,1H3
InChIKeyUSWMPDGCQUDCCB-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-aminoacetamide;1-chloropentane
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N-(4-aminooxybutyl)acetohydrazide
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1-chloropentane;sulfurochloridic acid
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1-chloropentane;oxozinc
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azane;1-chlorohexadecane;hydrate
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N,N-di(icosyl)acetamide
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N-acetyl-N-decylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;N-pentylacetohydrazide?
The IUPAC name of 1-chloropentane;N-pentylacetohydrazide (CID 175581019) is 1-chloropentane;N-pentylacetohydrazide.
What is the SMILES notation for 1-chloropentane;N-pentylacetohydrazide?
The canonical SMILES for 1-chloropentane;N-pentylacetohydrazide is CCCCCCl.CCCCCN(N)C(C)=O.
What is the InChIKey of 1-chloropentane;N-pentylacetohydrazide?
The InChIKey is USWMPDGCQUDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C5H11Cl/c1-3-4-5-6-9(8)7(2)10;1-2-3-4-5-6/h3-6,8H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;N-pentylacetohydrazide?
1-chloropentane;N-pentylacetohydrazide has a molecular weight of 250.81 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;N-pentylacetohydrazide is sourced from PubChem (CID 175581019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).