2-(4-ethylphenyl)pent-4-enyl carbamate

C14H19NO2 — CID 69105430

IUPAC2-(4-ethylphenyl)pent-4-enyl carbamate
SMILESC=CCC(COC(N)=O)c1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-3-5-13(10-17-14(15)16)12-8-6-11(4-2)7-9-12/h3,6-9,13H,1,4-5,10H2,2H3,(H2,15,16)
InChIKeyJJYRQSRBTYJNBQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-ethylphenyl)pent-4-enyl carbamate

2-(4-ethylphenyl)pent-4-enyl carbamate (PubChem CID 69105430) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)pent-4-enyl carbamate.

Molecular Properties

Compound Name2-(4-ethylphenyl)pent-4-enyl carbamate
PubChem CID69105430
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-ethylphenyl)pent-4-enyl carbamate
SMILESC=CCC(COC(N)=O)c1ccc(CC)cc1
InChIInChI=1S/C14H19NO2/c1-3-5-13(10-17-14(15)16)12-8-6-11(4-2)7-9-12/h3,6-9,13H,1,4-5,10H2,2H3,(H2,15,16)
InChIKeyJJYRQSRBTYJNBQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
ethyl 2-[4-(aminomethyl)phenyl]pent-4-enoate
CID 151143887
ethyl 3-phenylhex-5-enoate
CID 11481375
3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
(4-ethylphenyl) carbamate
CID 1269945
diethyl 2-[2-(4-heptoxyphenyl)pent-4-enyl]propanedioate
CID 67605035
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
methyl 3-(4-hydroxyphenyl)hex-5-enoate
CID 72533954
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
methyl 4-[(2S)-1-methoxy-1-oxopent-4-en-2-yl]benzoate
CID 129383428

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)pent-4-enyl carbamate?
The IUPAC name of 2-(4-ethylphenyl)pent-4-enyl carbamate (CID 69105430) is 2-(4-ethylphenyl)pent-4-enyl carbamate.
What is the SMILES notation for 2-(4-ethylphenyl)pent-4-enyl carbamate?
The canonical SMILES for 2-(4-ethylphenyl)pent-4-enyl carbamate is C=CCC(COC(N)=O)c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)pent-4-enyl carbamate?
The InChIKey is JJYRQSRBTYJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-13(10-17-14(15)16)12-8-6-11(4-2)7-9-12/h3,6-9,13H,1,4-5,10H2,2H3,(H2,15,16).
What are the key properties of 2-(4-ethylphenyl)pent-4-enyl carbamate?
2-(4-ethylphenyl)pent-4-enyl carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)pent-4-enyl carbamate is sourced from PubChem (CID 69105430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).