[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate

C10H17NO3 — CID 58805083

IUPAC[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
SMILESC=C(/C=C/CO)COC(=O)NC(C)C
InChIInChI=1S/C10H17NO3/c1-8(2)11-10(13)14-7-9(3)5-4-6-12/h4-5,8,12H,3,6-7H2,1-2H3,(H,11,13)/b5-4+
InChIKeyFCBVLLRXRLJUBN-SNAWJCMRSA-N
MW199.25 g/mol
LogP1.23
Rot. Bonds5

About [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate

[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate (PubChem CID 58805083) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
PubChem CID58805083
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
SMILESC=C(/C=C/CO)COC(=O)NC(C)C
InChIInChI=1S/C10H17NO3/c1-8(2)11-10(13)14-7-9(3)5-4-6-12/h4-5,8,12H,3,6-7H2,1-2H3,(H,11,13)/b5-4+
InChIKeyFCBVLLRXRLJUBN-SNAWJCMRSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl N-((1S,2E)-4-hydroxy-1-methyl-2-buten-1-yl)carbamate
CID 11063470
tert-butyl N-[(Z,2R,5S)-5-hydroxyhex-3-en-2-yl]carbamate
CID 131243994
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
[(Z)-4-carbamoyloxy-2-ethenylbut-2-enyl] N-propan-2-ylcarbamate
CID 58805078
[(Z)-2-ethenyl-4-hydroxybut-2-enyl] N-methylcarbamate
CID 58805086
[(2Z)-3-(hydroxymethyl)penta-2,4-dienyl] N-propan-2-ylcarbamate
CID 58805103
[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-propan-2-ylcarbamate
CID 58805105
[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] N-propan-2-ylcarbamate
CID 58805107
[(E)-5-carbamoyloxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
CID 58805110
[(Z)-2-ethenyl-4-hydroxybut-2-enyl] N-propan-2-ylcarbamate
CID 58805113
[3-(hydroxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate
CID 58805121
[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] N-methylcarbamate
CID 58805123

Frequently Asked Questions

What is the IUPAC name of [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate?
The IUPAC name of [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate (CID 58805083) is [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate is C=C(/C=C/CO)COC(=O)NC(C)C.
What is the InChIKey of [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate?
The InChIKey is FCBVLLRXRLJUBN-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)11-10(13)14-7-9(3)5-4-6-12/h4-5,8,12H,3,6-7H2,1-2H3,(H,11,13)/b5-4+.
What are the key properties of [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate?
[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 58805083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).