phenyl N-(3-cyanopropyl)carbamate

C11H12N2O2 — CID 55209795

IUPACphenyl N-(3-cyanopropyl)carbamate
SMILESN#CCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H12N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14)
InChIKeyINZXCEBUZNUBPZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.08
Rot. Bonds4

About phenyl N-(3-cyanopropyl)carbamate

phenyl N-(3-cyanopropyl)carbamate (PubChem CID 55209795) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is phenyl N-(3-cyanopropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-cyanopropyl)carbamate
PubChem CID55209795
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namephenyl N-(3-cyanopropyl)carbamate
SMILESN#CCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H12N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14)
InChIKeyINZXCEBUZNUBPZ-UHFFFAOYSA-N
XLogP2.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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phenyl N-(3-bromopropyl)carbamate
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N-(3-cyanopropyl)-3-phenoxypropanamide
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phenyl N-(2-hydroxyethyl)carbamate
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phenyl N-(3-methoxypropyl)carbamate
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N-(3-cyanopropyl)benzamide
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phenyl N-(4-methoxybutyl)carbamate
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phenyl N-(2-phenylethyl)carbamate
CID 12632743
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-cyanopropyl)carbamate?
The IUPAC name of phenyl N-(3-cyanopropyl)carbamate (CID 55209795) is phenyl N-(3-cyanopropyl)carbamate.
What is the SMILES notation for phenyl N-(3-cyanopropyl)carbamate?
The canonical SMILES for phenyl N-(3-cyanopropyl)carbamate is N#CCCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-cyanopropyl)carbamate?
The InChIKey is INZXCEBUZNUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14).
What are the key properties of phenyl N-(3-cyanopropyl)carbamate?
phenyl N-(3-cyanopropyl)carbamate has a molecular weight of 204.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-cyanopropyl)carbamate is sourced from PubChem (CID 55209795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).