amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate

C8H14N2O2 — CID 139356567

IUPACamino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate
SMILESCC/C=C\C=C(/C)NC(=O)ON
InChIInChI=1S/C8H14N2O2/c1-3-4-5-6-7(2)10-8(11)12-9/h4-6H,3,9H2,1-2H3,(H,10,11)/b5-4-,7-6+
InChIKeyZLSCUAMTVACWPY-SCFJQAPRSA-N
MW170.21 g/mol
LogP1.46
Rot. Bonds3

About amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate

amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate (PubChem CID 139356567) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate.

Molecular Properties

Compound Nameamino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate
PubChem CID139356567
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameamino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate
SMILESCC/C=C\C=C(/C)NC(=O)ON
InChIInChI=1S/C8H14N2O2/c1-3-4-5-6-7(2)10-8(11)12-9/h4-6H,3,9H2,1-2H3,(H,10,11)/b5-4-,7-6+
InChIKeyZLSCUAMTVACWPY-SCFJQAPRSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate?
The IUPAC name of amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate (CID 139356567) is amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate.
What is the SMILES notation for amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate?
The canonical SMILES for amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate is CC/C=C\C=C(/C)NC(=O)ON.
What is the InChIKey of amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate?
The InChIKey is ZLSCUAMTVACWPY-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-5-6-7(2)10-8(11)12-9/h4-6H,3,9H2,1-2H3,(H,10,11)/b5-4-,7-6+.
What are the key properties of amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate?
amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate has a molecular weight of 170.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-[(2E,4Z)-hepta-2,4-dien-2-yl]carbamate is sourced from PubChem (CID 139356567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).