cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide

C8H14INO — CID 131227340

IUPACcis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@H]1C(=O)NCCI
InChIInChI=1S/C8H14INO/c1-2-6-5-7(6)8(11)10-4-3-9/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyCLQJRQHVVUOWRV-RNFRBKRXSA-N
MW267.11 g/mol
LogP1.58
Rot. Bonds4

About cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide

cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide (PubChem CID 131227340) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide
PubChem CID131227340
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Namecis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@H]1C(=O)NCCI
InChIInChI=1S/C8H14INO/c1-2-6-5-7(6)8(11)10-4-3-9/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyCLQJRQHVVUOWRV-RNFRBKRXSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-ethyl-N-propylcyclopropane-1-carboxamide
CID 131227361
2-ethyl-N-propylcyclopropane-1-carboxamide
CID 131227358
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
2-amino-N-[3-(diethylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 64824545
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 138527082
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]cyclohexane-1-carboxamide
CID 103814332
1-N,1-N-diethyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130489
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113410032
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide (CID 131227340) is cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide is CC[C@@H]1C[C@H]1C(=O)NCCI.
What is the InChIKey of cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide?
The InChIKey is CLQJRQHVVUOWRV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14INO/c1-2-6-5-7(6)8(11)10-4-3-9/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide?
cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide has a molecular weight of 267.11 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-N-(2-iodoethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131227340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).