(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate

C11H18N2O2 — CID 123925310

IUPAC(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate
SMILESC=CC=C(C=CC)CC(N)COC(N)=O
InChIInChI=1S/C11H18N2O2/c1-3-5-9(6-4-2)7-10(12)8-15-11(13)14/h3-6,10H,1,7-8,12H2,2H3,(H2,13,14)
InChIKeyREUCPOKVADTLKB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.49
Rot. Bonds6

About (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate

(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate (PubChem CID 123925310) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate.

Molecular Properties

Compound Name(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate
PubChem CID123925310
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate
SMILESC=CC=C(C=CC)CC(N)COC(N)=O
InChIInChI=1S/C11H18N2O2/c1-3-5-9(6-4-2)7-10(12)8-15-11(13)14/h3-6,10H,1,7-8,12H2,2H3,(H2,13,14)
InChIKeyREUCPOKVADTLKB-UHFFFAOYSA-N
XLogP1.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate?
The IUPAC name of (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate (CID 123925310) is (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate.
What is the SMILES notation for (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate?
The canonical SMILES for (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate is C=CC=C(C=CC)CC(N)COC(N)=O.
What is the InChIKey of (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate?
The InChIKey is REUCPOKVADTLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-9(6-4-2)7-10(12)8-15-11(13)14/h3-6,10H,1,7-8,12H2,2H3,(H2,13,14).
What are the key properties of (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate?
(2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate has a molecular weight of 210.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-prop-1-enylhepta-4,6-dienyl) carbamate is sourced from PubChem (CID 123925310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).