N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide

C12H20ClNO2 — CID 114303017

IUPACN-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO2/c13-11-5-1-3-9(11)8-14-12(15)7-10-4-2-6-16-10/h9-11H,1-8H2,(H,14,15)
InChIKeySTLLQADHJHDMNL-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide

N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 114303017) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
PubChem CID114303017
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO2/c13-11-5-1-3-9(11)8-14-12(15)7-10-4-2-6-16-10/h9-11H,1-8H2,(H,14,15)
InChIKeySTLLQADHJHDMNL-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114312160
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide (CID 114303017) is N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is STLLQADHJHDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c13-11-5-1-3-9(11)8-14-12(15)7-10-4-2-6-16-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide?
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 245.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114303017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).