N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide

C11H18ClNO2 — CID 106300320

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C11H18ClNO2/c1-8-6-9(8)10(14)13-11(7-12)2-4-15-5-3-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeySUKSBHZQUDWFHI-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.55
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide

N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 106300320) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID106300320
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C11H18ClNO2/c1-8-6-9(8)10(14)13-11(7-12)2-4-15-5-3-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeySUKSBHZQUDWFHI-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.55
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

N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
cis-(1R,2S)-2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 106296979
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
N-[4-(chloromethyl)oxan-4-yl]thiolane-3-carboxamide
CID 106300810
N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106297417
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpyrrolidine-3-carboxamide
CID 106298598
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide (CID 106300320) is N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SUKSBHZQUDWFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-8-6-9(8)10(14)13-11(7-12)2-4-15-5-3-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide?
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 231.72 g/mol, XLogP of 1.55, 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]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 106300320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).