phenyl N-pent-4-en-2-ylcarbamate

C12H15NO2 — CID 115631343

IUPACphenyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-7-10(2)13-12(14)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3,(H,13,14)
InChIKeyUZYJTBDBHBMYTI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.74
Rot. Bonds4

About phenyl N-pent-4-en-2-ylcarbamate

phenyl N-pent-4-en-2-ylcarbamate (PubChem CID 115631343) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl N-pent-4-en-2-ylcarbamate.

Molecular Properties

Compound Namephenyl N-pent-4-en-2-ylcarbamate
PubChem CID115631343
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-7-10(2)13-12(14)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3,(H,13,14)
InChIKeyUZYJTBDBHBMYTI-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.74
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

benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
phenyl 2-ethylpent-4-enoate
CID 86014325
pent-4-en-2-ylcarbamic acid
CID 146626901
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095

Frequently Asked Questions

What is the IUPAC name of phenyl N-pent-4-en-2-ylcarbamate?
The IUPAC name of phenyl N-pent-4-en-2-ylcarbamate (CID 115631343) is phenyl N-pent-4-en-2-ylcarbamate.
What is the SMILES notation for phenyl N-pent-4-en-2-ylcarbamate?
The canonical SMILES for phenyl N-pent-4-en-2-ylcarbamate is C=CCC(C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-pent-4-en-2-ylcarbamate?
The InChIKey is UZYJTBDBHBMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-10(2)13-12(14)15-11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3,(H,13,14).
What are the key properties of phenyl N-pent-4-en-2-ylcarbamate?
phenyl N-pent-4-en-2-ylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-pent-4-en-2-ylcarbamate is sourced from PubChem (CID 115631343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).