ethane;propyl N-methylcarbamate

C7H17NO2 — CID 142560404

IUPACethane;propyl N-methylcarbamate
SMILESCC.CCCOC(=O)NC
InChIInChI=1S/C5H11NO2.C2H6/c1-3-4-8-5(7)6-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3
InChIKeyMMMLKHHAWGQGBF-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.78
Rot. Bonds2

About ethane;propyl N-methylcarbamate

ethane;propyl N-methylcarbamate (PubChem CID 142560404) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is ethane;propyl N-methylcarbamate.

Molecular Properties

Compound Nameethane;propyl N-methylcarbamate
PubChem CID142560404
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameethane;propyl N-methylcarbamate
SMILESCC.CCCOC(=O)NC
InChIInChI=1S/C5H11NO2.C2H6/c1-3-4-8-5(7)6-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3
InChIKeyMMMLKHHAWGQGBF-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
butane;propyl N-hydroxycarbamate
CID 174767978
propyl N-[3-(methylcarbamoylamino)propyl]carbamate
CID 23563503
ethyl N-methylcarbamate;formaldehyde
CID 160650405
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
propyl N-(dihydroxymethyl)carbamate
CID 174469306
octadec-9-enyl N-methylcarbamate
CID 123820501
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803
propyl N-(methoxymethyl)carbamate
CID 142704391
5-hydroxypentyl N-methylcarbamate
CID 138694704
propyl N-iodosulfonylcarbamate
CID 89299512

Frequently Asked Questions

What is the IUPAC name of ethane;propyl N-methylcarbamate?
The IUPAC name of ethane;propyl N-methylcarbamate (CID 142560404) is ethane;propyl N-methylcarbamate.
What is the SMILES notation for ethane;propyl N-methylcarbamate?
The canonical SMILES for ethane;propyl N-methylcarbamate is CC.CCCOC(=O)NC.
What is the InChIKey of ethane;propyl N-methylcarbamate?
The InChIKey is MMMLKHHAWGQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2H6/c1-3-4-8-5(7)6-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3.
What are the key properties of ethane;propyl N-methylcarbamate?
ethane;propyl N-methylcarbamate has a molecular weight of 147.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propyl N-methylcarbamate is sourced from PubChem (CID 142560404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).