(2,2-dichlorocyclopropyl)methyl carbamate

C5H7Cl2NO2 — CID 141209953

IUPAC(2,2-dichlorocyclopropyl)methyl carbamate
SMILESNC(=O)OCC1CC1(Cl)Cl
InChIInChI=1S/C5H7Cl2NO2/c6-5(7)1-3(5)2-10-4(8)9/h3H,1-2H2,(H2,8,9)
InChIKeyZORPPYRHRHDPAF-UHFFFAOYSA-N
MW184.02 g/mol
LogP1.28
Rot. Bonds2

About (2,2-dichlorocyclopropyl)methyl carbamate

(2,2-dichlorocyclopropyl)methyl carbamate (PubChem CID 141209953) has the molecular formula C5H7Cl2NO2 and a molecular weight of 184.02 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methyl carbamate.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methyl carbamate
PubChem CID141209953
Molecular FormulaC5H7Cl2NO2
Molecular Weight184.02 g/mol
Exact Mass182.99
IUPAC Name(2,2-dichlorocyclopropyl)methyl carbamate
SMILESNC(=O)OCC1CC1(Cl)Cl
InChIInChI=1S/C5H7Cl2NO2/c6-5(7)1-3(5)2-10-4(8)9/h3H,1-2H2,(H2,8,9)
InChIKeyZORPPYRHRHDPAF-UHFFFAOYSA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methoxymethyl]cyclopropane
CID 57184605
[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate
CID 26538853
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26263682
(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
CID 16556463
3-(2,2-dichlorocyclopropyl)propanoic acid
CID 122163708
(2,2-dichlorocyclopropyl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 16556459
N-[(2,2-dichlorocyclopropyl)methyl]acetamide
CID 131042043
oxan-4-ylmethyl carbamate
CID 134587773
1,1-dichloro-2-(chloromethyl)cyclopropane
CID 10953803
[(1S)-2,2-dichlorocyclopropyl]methyl 2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 26539160
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78790829

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methyl carbamate?
The IUPAC name of (2,2-dichlorocyclopropyl)methyl carbamate (CID 141209953) is (2,2-dichlorocyclopropyl)methyl carbamate.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methyl carbamate?
The canonical SMILES for (2,2-dichlorocyclopropyl)methyl carbamate is NC(=O)OCC1CC1(Cl)Cl.
What is the InChIKey of (2,2-dichlorocyclopropyl)methyl carbamate?
The InChIKey is ZORPPYRHRHDPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2NO2/c6-5(7)1-3(5)2-10-4(8)9/h3H,1-2H2,(H2,8,9).
What are the key properties of (2,2-dichlorocyclopropyl)methyl carbamate?
(2,2-dichlorocyclopropyl)methyl carbamate has a molecular weight of 184.02 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methyl carbamate is sourced from PubChem (CID 141209953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).