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

C8H15NO2 — CID 173431096

IUPACethyl(2-methylbut-1-enyl)carbamic acid
SMILESCCC(C)=CN(CC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-7(3)6-9(5-2)8(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyYCEYLCRQJAUKKQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.30
Rot. Bonds3

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

ethyl(2-methylbut-1-enyl)carbamic acid (PubChem CID 173431096) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl(2-methylbut-1-enyl)carbamic acid.

Molecular Properties

Compound Nameethyl(2-methylbut-1-enyl)carbamic acid
PubChem CID173431096
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl(2-methylbut-1-enyl)carbamic acid
SMILESCCC(C)=CN(CC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-7(3)6-9(5-2)8(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyYCEYLCRQJAUKKQ-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethyl(2-methylbut-1-enyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-methylpent-2-enoic acid
CID 5473433
N-methyl-N-(2-methylbut-1-enyl)formamide
CID 151285148
(E)-4-methylhex-3-enoic acid
CID 14197237
(Z)-4-methylhex-3-enoic acid
CID 14197236
(Z)-4-methylhex-3-en-2-one
CID 12930146
di(hexan-3-yl)carbamic acid
CID 88787380
(E)-5-methylhept-4-enoic acid
CID 83694352
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
acetic acid;N,N-diethylformamide
CID 172752961
2,5-dimethylhepta-2,4-diene
CID 54097255
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide
CID 10800362

Frequently Asked Questions

What is the IUPAC name of ethyl(2-methylbut-1-enyl)carbamic acid?
The IUPAC name of ethyl(2-methylbut-1-enyl)carbamic acid (CID 173431096) is ethyl(2-methylbut-1-enyl)carbamic acid.
What is the SMILES notation for ethyl(2-methylbut-1-enyl)carbamic acid?
The canonical SMILES for ethyl(2-methylbut-1-enyl)carbamic acid is CCC(C)=CN(CC)C(=O)O.
What is the InChIKey of ethyl(2-methylbut-1-enyl)carbamic acid?
The InChIKey is YCEYLCRQJAUKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(3)6-9(5-2)8(10)11/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl(2-methylbut-1-enyl)carbamic acid?
ethyl(2-methylbut-1-enyl)carbamic acid has a molecular weight of 157.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-methylbut-1-enyl)carbamic acid is sourced from PubChem (CID 173431096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).