prop-2-enyl N-propylcarbamate

C7H13NO2 — CID 19434675

IUPACprop-2-enyl N-propylcarbamate
SMILESC=CCOC(=O)NCCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyVDTXNBXTAHRNDQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.31
Rot. Bonds4

About prop-2-enyl N-propylcarbamate

prop-2-enyl N-propylcarbamate (PubChem CID 19434675) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is prop-2-enyl N-propylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-propylcarbamate
PubChem CID19434675
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameprop-2-enyl N-propylcarbamate
SMILESC=CCOC(=O)NCCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyVDTXNBXTAHRNDQ-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.31
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

Ethyl N-allylcarbamate
CID 138454
N-(Allyloxycarbonyl)ethanolamine
CID 3511397
3-(Allyloxycarbonylamino)-1-propanol
CID 5152731
Prop-2-en-1-yl (3-aminopropyl)carbamate--hydrogen chloride (1/1)
CID 16212823
prop-2-enyl N-(2-methylpropyl)carbamate
CID 88557507
Prop-2-en-1-yl (3-oxopropyl)carbamate
CID 24798874
Prop-2-en-1-yl methylcarbamate
CID 12685968
tert-butyl N-(1-prop-2-enoxyethyl)carbamate
CID 130015147
Allyl (3-aminopropyl)carbamate
CID 11435085
(5-Aminopentyl)carbamic acid allyl ester
CID 16212936
prop-2-enyl N-(2-fluoroethyl)carbamate
CID 88603859
prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
CID 88603887

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-propylcarbamate?
The IUPAC name of prop-2-enyl N-propylcarbamate (CID 19434675) is prop-2-enyl N-propylcarbamate.
What is the SMILES notation for prop-2-enyl N-propylcarbamate?
The canonical SMILES for prop-2-enyl N-propylcarbamate is C=CCOC(=O)NCCC.
What is the InChIKey of prop-2-enyl N-propylcarbamate?
The InChIKey is VDTXNBXTAHRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h4H,2-3,5-6H2,1H3,(H,8,9).
What are the key properties of prop-2-enyl N-propylcarbamate?
prop-2-enyl N-propylcarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-propylcarbamate is sourced from PubChem (CID 19434675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).