2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide

C10H17ClN2O2 — CID 142867300

IUPAC2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide
SMILESCO/N=C(\C=C\C(C)(C)C)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-10(2,3)6-5-8(13-15-4)12-9(14)7-11/h5-6H,7H2,1-4H3,(H,12,13,14)/b6-5+
InChIKeyIAXLWRJTWYJVAP-AATRIKPKSA-N
MW232.71 g/mol
LogP1.90
Rot. Bonds3

About 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide

2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide (PubChem CID 142867300) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide
PubChem CID142867300
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide
SMILESCO/N=C(\C=C\C(C)(C)C)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-10(2,3)6-5-8(13-15-4)12-9(14)7-11/h5-6H,7H2,1-4H3,(H,12,13,14)/b6-5+
InChIKeyIAXLWRJTWYJVAP-AATRIKPKSA-N
XLogP1.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloroacetyl)amino]prop-2-enoate
CID 22251401
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
methyl (E)-3-[(2-chloroacetyl)amino]but-2-enoate
CID 19166642
N-acetyl-2-chloroacetamide
CID 2366697
methyl (E)-2-diazo-5,5-dimethylhex-3-enoate
CID 162411558
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
CID 70462096
propyl N-(2-chloroacetyl)carbamate
CID 57133881
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
methyl (Z)-2-[(2-chloroacetyl)amino]hexadec-2-enoate
CID 110190847
(Z)-5,5-dimethylhex-3-en-2-one
CID 59028439
[(E)-1-methoxy-4,4-dimethylpent-2-enylidene]tungsten
CID 135076967
2,2,2-trichloro-N-(2-chloroacetyl)acetamide
CID 154016680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide?
The IUPAC name of 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide (CID 142867300) is 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide is CO/N=C(\C=C\C(C)(C)C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide?
The InChIKey is IAXLWRJTWYJVAP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-10(2,3)6-5-8(13-15-4)12-9(14)7-11/h5-6H,7H2,1-4H3,(H,12,13,14)/b6-5+.
What are the key properties of 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide?
2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide has a molecular weight of 232.71 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide is sourced from PubChem (CID 142867300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).