benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate

C15H17NO2 — CID 143655174

IUPACbenzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC1=CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-10-16(11-13-8-9-13)15(17)18-12-14-6-4-3-5-7-14/h2-8H,1,9-12H2
InChIKeyOKAPRVUDULWPDU-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.14
Rot. Bonds6

About benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate

benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate (PubChem CID 143655174) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
PubChem CID143655174
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namebenzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC1=CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-10-16(11-13-8-9-13)15(17)18-12-14-6-4-3-5-7-14/h2-8H,1,9-12H2
InChIKeyOKAPRVUDULWPDU-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
CID 102188161
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083
methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]prop-2-enoate
CID 68854413
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
CID 118230381
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 10643364

Frequently Asked Questions

What is the IUPAC name of benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate (CID 143655174) is benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate is C=CCN(CC1=CC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate?
The InChIKey is OKAPRVUDULWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-10-16(11-13-8-9-13)15(17)18-12-14-6-4-3-5-7-14/h2-8H,1,9-12H2.
What are the key properties of benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate?
benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate has a molecular weight of 243.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 143655174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).