5-methyliminopentanoyl chloride

C6H10ClNO — CID 123728078

IUPAC5-methyliminopentanoyl chloride
SMILESC/N=C/CCCC(=O)Cl
InChIInChI=1S/C6H10ClNO/c1-8-5-3-2-4-6(7)9/h5H,2-4H2,1H3/b8-5+
InChIKeyDLCBHRPYAVWIKT-VMPITWQZSA-N
MW147.60 g/mol
LogP1.62
Rot. Bonds4

About 5-methyliminopentanoyl chloride

5-methyliminopentanoyl chloride (PubChem CID 123728078) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 5-methyliminopentanoyl chloride.

Molecular Properties

Compound Name5-methyliminopentanoyl chloride
PubChem CID123728078
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name5-methyliminopentanoyl chloride
SMILESC/N=C/CCCC(=O)Cl
InChIInChI=1S/C6H10ClNO/c1-8-5-3-2-4-6(7)9/h5H,2-4H2,1H3/b8-5+
InChIKeyDLCBHRPYAVWIKT-VMPITWQZSA-N
XLogP1.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylheptane-1,7-diimine
CID 159923520
N-(5-(113C)methyliminopentyl)acetamide
CID 135251333
N-(5-(113C)methyliminopentyl)acetamide
CID 135251398
pentanoyl chloride;hydrofluoride
CID 174423538
11-oxoundecanoyl chloride
CID 56995388
(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
hexadec-9-enoyl chloride
CID 5109845
(E)-hexadec-9-enoyl chloride
CID 6272807
(Z)-heptadec-10-enoyl chloride
CID 14430044
(Z)-octadec-6-enoyl chloride
CID 87496565
4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
CID 163842692
N-methyloctadecan-1-imine
CID 54409483

Frequently Asked Questions

What is the IUPAC name of 5-methyliminopentanoyl chloride?
The IUPAC name of 5-methyliminopentanoyl chloride (CID 123728078) is 5-methyliminopentanoyl chloride.
What is the SMILES notation for 5-methyliminopentanoyl chloride?
The canonical SMILES for 5-methyliminopentanoyl chloride is C/N=C/CCCC(=O)Cl.
What is the InChIKey of 5-methyliminopentanoyl chloride?
The InChIKey is DLCBHRPYAVWIKT-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-8-5-3-2-4-6(7)9/h5H,2-4H2,1H3/b8-5+.
What are the key properties of 5-methyliminopentanoyl chloride?
5-methyliminopentanoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyliminopentanoyl chloride is sourced from PubChem (CID 123728078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).