N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide

C10H16BrNO2 — CID 80678303

IUPACN-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(CCBr)C1CC1
InChIInChI=1S/C10H16BrNO2/c11-5-6-12(8-3-4-8)10(13)9-2-1-7-14-9/h8-9H,1-7H2
InChIKeyVEXZTIFOKBAYNA-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.55
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide

N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide (PubChem CID 80678303) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
PubChem CID80678303
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(CCBr)C1CC1
InChIInChI=1S/C10H16BrNO2/c11-5-6-12(8-3-4-8)10(13)9-2-1-7-14-9/h8-9H,1-7H2
InChIKeyVEXZTIFOKBAYNA-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyloxolane-2-carboxamide
CID 63754436
(2R)-N-cyclobutyl-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 102866742
N-(2-bromoethyl)-N-cyclopentyl-1,4-dioxane-2-carboxamide
CID 80658716
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
N-(3-aminopropyl)-N-cyclohexyloxolane-2-carboxamide
CID 43136866
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
CID 76937461
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
(2R)-N-piperidin-3-yl-N-propyloxolane-2-carboxamide
CID 104856269
N-cyclopropyl-N-(piperidin-3-ylmethyl)oxolane-2-carboxamide
CID 106628691
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
(2R)-N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxolane-2-carboxamide
CID 99859409
N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide (CID 80678303) is N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide is O=C(C1CCCO1)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide?
The InChIKey is VEXZTIFOKBAYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c11-5-6-12(8-3-4-8)10(13)9-2-1-7-14-9/h8-9H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide?
N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide has a molecular weight of 262.15 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide is sourced from PubChem (CID 80678303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).