(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine

C7H13NO — CID 88884456

IUPAC(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine
SMILESC=C(C)O/C(C)=C(/C)N
InChIInChI=1S/C7H13NO/c1-5(2)9-7(4)6(3)8/h1,8H2,2-4H3/b7-6-
InChIKeyLCBHROYTHDOHDG-SREVYHEPSA-N
MW127.19 g/mol
LogP1.75
Rot. Bonds2

About (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine

(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine (PubChem CID 88884456) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine
PubChem CID88884456
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine
SMILESC=C(C)O/C(C)=C(/C)N
InChIInChI=1S/C7H13NO/c1-5(2)9-7(4)6(3)8/h1,8H2,2-4H3/b7-6-
InChIKeyLCBHROYTHDOHDG-SREVYHEPSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine?
The IUPAC name of (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine (CID 88884456) is (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine.
What is the SMILES notation for (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine?
The canonical SMILES for (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine is C=C(C)O/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine?
The InChIKey is LCBHROYTHDOHDG-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)9-7(4)6(3)8/h1,8H2,2-4H3/b7-6-.
What are the key properties of (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine?
(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-prop-1-en-2-yloxybut-2-en-2-amine is sourced from PubChem (CID 88884456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).