2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride

C13H16ClNO — CID 13208107

IUPAC2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
SMILESCN(C)CC1CC1(C(=O)Cl)c1ccccc1
InChIInChI=1S/C13H16ClNO/c1-15(2)9-11-8-13(11,12(14)16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyHVYIVKWZIMCZGG-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.27
Rot. Bonds4

About 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride

2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride (PubChem CID 13208107) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
PubChem CID13208107
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
SMILESCN(C)CC1CC1(C(=O)Cl)c1ccccc1
InChIInChI=1S/C13H16ClNO/c1-15(2)9-11-8-13(11,12(14)16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyHVYIVKWZIMCZGG-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride (CID 13208107) is 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride is CN(C)CC1CC1(C(=O)Cl)c1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride?
The InChIKey is HVYIVKWZIMCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-15(2)9-11-8-13(11,12(14)16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride?
2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride has a molecular weight of 237.73 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 13208107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).