ethane;propylcarbamic acid

C6H15NO2 — CID 155733503

IUPACethane;propylcarbamic acid
SMILESCC.CCCNC(=O)O
InChIInChI=1S/C4H9NO2.C2H6/c1-2-3-5-4(6)7;1-2/h5H,2-3H2,1H3,(H,6,7);1-2H3
InChIKeyDSVJDAGRLOQHKS-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.69
Rot. Bonds2

About ethane;propylcarbamic acid

ethane;propylcarbamic acid (PubChem CID 155733503) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is ethane;propylcarbamic acid.

Molecular Properties

Compound Nameethane;propylcarbamic acid
PubChem CID155733503
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameethane;propylcarbamic acid
SMILESCC.CCCNC(=O)O
InChIInChI=1S/C4H9NO2.C2H6/c1-2-3-5-4(6)7;1-2/h5H,2-3H2,1H3,(H,6,7);1-2H3
InChIKeyDSVJDAGRLOQHKS-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;propylcarbamic acid?
The IUPAC name of ethane;propylcarbamic acid (CID 155733503) is ethane;propylcarbamic acid.
What is the SMILES notation for ethane;propylcarbamic acid?
The canonical SMILES for ethane;propylcarbamic acid is CC.CCCNC(=O)O.
What is the InChIKey of ethane;propylcarbamic acid?
The InChIKey is DSVJDAGRLOQHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6/c1-2-3-5-4(6)7;1-2/h5H,2-3H2,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;propylcarbamic acid?
ethane;propylcarbamic acid has a molecular weight of 133.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propylcarbamic acid is sourced from PubChem (CID 155733503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).