1-ethoxyprop-2-enyl(ethyl)carbamic acid

C8H15NO3 — CID 87887808

IUPAC1-ethoxyprop-2-enyl(ethyl)carbamic acid
SMILESC=CC(OCC)N(CC)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-7(12-6-3)9(5-2)8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyQWBBTQZTVGQGKG-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.53
Rot. Bonds5

About 1-ethoxyprop-2-enyl(ethyl)carbamic acid

1-ethoxyprop-2-enyl(ethyl)carbamic acid (PubChem CID 87887808) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-ethoxyprop-2-enyl(ethyl)carbamic acid.

Molecular Properties

Compound Name1-ethoxyprop-2-enyl(ethyl)carbamic acid
PubChem CID87887808
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-ethoxyprop-2-enyl(ethyl)carbamic acid
SMILESC=CC(OCC)N(CC)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-7(12-6-3)9(5-2)8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyQWBBTQZTVGQGKG-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-diethoxyprop-1-ene;prop-2-enoic acid
CID 158513220
1-(diethylamino)prop-2-enyl prop-2-enoate
CID 87565794
2-ethoxybut-3-enoate
CID 22378460
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614
1-aminopropan-2-yl(ethyl)carbamic acid
CID 134540126
1-(3,4-dichlorophenyl)-1-(1-ethoxyprop-2-enyl)-3,3-dimethylurea
CID 54005265
3-[but-3-en-2-yl(ethyl)amino]butanoic acid
CID 62828162
1-aminopropan-2-yl(prop-2-enyl)carbamic acid
CID 122620115
2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide
CID 54249446
carbonic acid;1,1-diethoxyethane
CID 87827362
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
2-[(2-ethoxy-2-oxoacetyl)-ethylamino]propanoic acid
CID 175018742

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyprop-2-enyl(ethyl)carbamic acid?
The IUPAC name of 1-ethoxyprop-2-enyl(ethyl)carbamic acid (CID 87887808) is 1-ethoxyprop-2-enyl(ethyl)carbamic acid.
What is the SMILES notation for 1-ethoxyprop-2-enyl(ethyl)carbamic acid?
The canonical SMILES for 1-ethoxyprop-2-enyl(ethyl)carbamic acid is C=CC(OCC)N(CC)C(=O)O.
What is the InChIKey of 1-ethoxyprop-2-enyl(ethyl)carbamic acid?
The InChIKey is QWBBTQZTVGQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7(12-6-3)9(5-2)8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of 1-ethoxyprop-2-enyl(ethyl)carbamic acid?
1-ethoxyprop-2-enyl(ethyl)carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyprop-2-enyl(ethyl)carbamic acid is sourced from PubChem (CID 87887808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).