[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate

C12H21NO2 — CID 176960690

IUPAC[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NC(C)C
InChIInChI=1S/C12H21NO2/c1-5-7-11(8-6-2)9-15-12(14)13-10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14)/b7-5-,11-8+
InChIKeyMTEBGOUVELSIPX-UKJSTWFMSA-N
MW211.31 g/mol
LogP3.03
Rot. Bonds5

About [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate (PubChem CID 176960690) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate
PubChem CID176960690
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NC(C)C
InChIInChI=1S/C12H21NO2/c1-5-7-11(8-6-2)9-15-12(14)13-10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14)/b7-5-,11-8+
InChIKeyMTEBGOUVELSIPX-UKJSTWFMSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate
CID 10637503
[(2E)-3,7-dimethylocta-2,6-dienyl] N-ethylcarbamate
CID 10751679
cyclohexa-1,5-dien-1-ylmethyl N-(2,2-difluoropropyl)carbamate;ethane
CID 144307217
ethyl N-[(4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 21034841
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
3,7,11-trimethyldodeca-2,6,10-trienyl N-ethylcarbamate
CID 54147271
ethyl N-[(3R,4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 58597067
[(2E)-4-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
CID 58805071
[(Z)-4-carbamoyloxy-2-ethenylbut-2-enyl] N-propan-2-ylcarbamate
CID 58805078
[(3E)-hexa-3,5-dienyl] N-propan-2-ylcarbamate
CID 58805079
[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
CID 58805083
[(2Z)-3-(hydroxymethyl)penta-2,4-dienyl] N-propan-2-ylcarbamate
CID 58805103

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate?
The IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate (CID 176960690) is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate is C/C=C\C(=C/CC)COC(=O)NC(C)C.
What is the InChIKey of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate?
The InChIKey is MTEBGOUVELSIPX-UKJSTWFMSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-11(8-6-2)9-15-12(14)13-10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14)/b7-5-,11-8+.
What are the key properties of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate?
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate has a molecular weight of 211.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 176960690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).