N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide

C11H18ClNO2 — CID 130491928

IUPACN-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NC1(CCl)CC1
InChIInChI=1S/C11H18ClNO2/c1-8-6-15-5-2-9(8)10(14)13-11(7-12)3-4-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyUNICVHKEXFOGBI-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide

N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide (PubChem CID 130491928) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide
PubChem CID130491928
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC NameN-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)NC1(CCl)CC1
InChIInChI=1S/C11H18ClNO2/c1-8-6-15-5-2-9(8)10(14)13-11(7-12)3-4-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyUNICVHKEXFOGBI-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide (CID 130491928) is N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide is CC1COCCC1C(=O)NC1(CCl)CC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide?
The InChIKey is UNICVHKEXFOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-8-6-15-5-2-9(8)10(14)13-11(7-12)3-4-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide?
N-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-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-[1-(chloromethyl)cyclopropyl]-3-methyloxane-4-carboxamide is sourced from PubChem (CID 130491928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).