N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide

C11H20ClNO2 — CID 106168713

IUPACN-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLNUFKQOAGKSMBJ-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.08
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide

N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide (PubChem CID 106168713) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide
PubChem CID106168713
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLNUFKQOAGKSMBJ-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide (CID 106168713) is N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide is CCC(C)(CCCl)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide?
The InChIKey is LNUFKQOAGKSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 106168713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).