N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide

C12H20ClNO2 — CID 106300312

IUPACN-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCCC1
InChIInChI=1S/C12H20ClNO2/c13-9-12(5-7-16-8-6-12)14-11(15)10-3-1-2-4-10/h10H,1-9H2,(H,14,15)
InChIKeyPISLMLFBYSPOFC-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.08
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide

N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide (PubChem CID 106300312) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide
PubChem CID106300312
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCCC1
InChIInChI=1S/C12H20ClNO2/c13-9-12(5-7-16-8-6-12)14-11(15)10-3-1-2-4-10/h10H,1-9H2,(H,14,15)
InChIKeyPISLMLFBYSPOFC-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
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-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide (CID 106300312) is N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide is O=C(NC1(CCl)CCOCC1)C1CCCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide?
The InChIKey is PISLMLFBYSPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c13-9-12(5-7-16-8-6-12)14-11(15)10-3-1-2-4-10/h10H,1-9H2,(H,14,15).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide?
N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide has a molecular weight of 245.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 106300312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).