benzyl N-prop-2-ynylcarbamate

C11H11NO2 — CID 11137906

IUPACbenzyl N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H11NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChIKeySVBHWCDDVMKYTN-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.55
Rot. Bonds3

About benzyl N-prop-2-ynylcarbamate

benzyl N-prop-2-ynylcarbamate (PubChem CID 11137906) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is benzyl N-prop-2-ynylcarbamate.

Molecular Properties

Compound Namebenzyl N-prop-2-ynylcarbamate
PubChem CID11137906
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namebenzyl N-prop-2-ynylcarbamate
SMILESC#CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H11NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChIKeySVBHWCDDVMKYTN-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-prop-2-ynylcarbamate?
The IUPAC name of benzyl N-prop-2-ynylcarbamate (CID 11137906) is benzyl N-prop-2-ynylcarbamate.
What is the SMILES notation for benzyl N-prop-2-ynylcarbamate?
The canonical SMILES for benzyl N-prop-2-ynylcarbamate is C#CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-prop-2-ynylcarbamate?
The InChIKey is SVBHWCDDVMKYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13).
What are the key properties of benzyl N-prop-2-ynylcarbamate?
benzyl N-prop-2-ynylcarbamate has a molecular weight of 189.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-prop-2-ynylcarbamate is sourced from PubChem (CID 11137906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).