benzyl carbamate;pent-4-en-1-ol

C13H19NO3 — CID 155699875

IUPACbenzyl carbamate;pent-4-en-1-ol
SMILESC=CCCCO.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C5H10O/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-4-5-6/h1-5H,6H2,(H2,9,10);2,6H,1,3-5H2
InChIKeyKLRHXPRBGIDMQP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.23
Rot. Bonds5

About benzyl carbamate;pent-4-en-1-ol

benzyl carbamate;pent-4-en-1-ol (PubChem CID 155699875) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzyl carbamate;pent-4-en-1-ol.

Molecular Properties

Compound Namebenzyl carbamate;pent-4-en-1-ol
PubChem CID155699875
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzyl carbamate;pent-4-en-1-ol
SMILESC=CCCCO.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C5H10O/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-4-5-6/h1-5H,6H2,(H2,9,10);2,6H,1,3-5H2
InChIKeyKLRHXPRBGIDMQP-UHFFFAOYSA-N
XLogP2.23
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl carbamate;pent-4-en-1-ol 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

benzyl carbamate;heptahydrochloride
CID 141351835
hex-5-en-1-ol;methoxymethylbenzene
CID 143092663
benzyl 2-oxonon-8-enoate
CID 150291557
(4-phenylphenyl)methyl carbamate
CID 123751479
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
benzyl but-3-enoate
CID 11019385
dec-9-en-1-ol;phenylmethanol
CID 159433557
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
benzyl 2-methylhex-5-enoate
CID 14713099
benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;pent-4-en-1-ol?
The IUPAC name of benzyl carbamate;pent-4-en-1-ol (CID 155699875) is benzyl carbamate;pent-4-en-1-ol.
What is the SMILES notation for benzyl carbamate;pent-4-en-1-ol?
The canonical SMILES for benzyl carbamate;pent-4-en-1-ol is C=CCCCO.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;pent-4-en-1-ol?
The InChIKey is KLRHXPRBGIDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C5H10O/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-4-5-6/h1-5H,6H2,(H2,9,10);2,6H,1,3-5H2.
What are the key properties of benzyl carbamate;pent-4-en-1-ol?
benzyl carbamate;pent-4-en-1-ol has a molecular weight of 237.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;pent-4-en-1-ol is sourced from PubChem (CID 155699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).