(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene

C11H21NO2 — CID 160974653

IUPAC(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene
SMILESC/C=C1/OCO/C1=C/C.C=CC.CN
InChIInChI=1S/C7H10O2.C3H6.CH5N/c1-3-6-7(4-2)9-5-8-6;1-3-2;1-2/h3-4H,5H2,1-2H3;3H,1H2,2H3;2H2,1H3/b6-3+,7-4+;;
InChIKeySYRWCPRZCXFZFE-JPEBYSQZSA-N
MW199.29 g/mol
LogP2.57
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene

(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene (PubChem CID 160974653) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene
PubChem CID160974653
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene
SMILESC/C=C1/OCO/C1=C/C.C=CC.CN
InChIInChI=1S/C7H10O2.C3H6.CH5N/c1-3-6-7(4-2)9-5-8-6;1-3-2;1-2/h3-4H,5H2,1-2H3;3H,1H2,2H3;2H2,1H3/b6-3+,7-4+;;
InChIKeySYRWCPRZCXFZFE-JPEBYSQZSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E,5E)-4-ethylidene-5-propylidene-1,3-dioxolane
CID 88980689
(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
CID 143483101
methanamine;prop-1-ene
CID 174317036
(2E)-2-ethylidene-3-methylidene-1,4-dioxane
CID 144611337
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
prop-1-ene
CID 162178440
azane;tris(prop-1-ene)
CID 162019717
3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine
CID 143759971
ethane;bis(prop-1-ene)
CID 91426438
prop-1-ene;hydrochloride
CID 19097823
bis(prop-1-ene);hydrate
CID 21257591
ethene;tetrakis(prop-1-ene)
CID 158667737

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene (CID 160974653) is (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene is C/C=C1/OCO/C1=C/C.C=CC.CN.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene?
The InChIKey is SYRWCPRZCXFZFE-JPEBYSQZSA-N. The full InChI is InChI=1S/C7H10O2.C3H6.CH5N/c1-3-6-7(4-2)9-5-8-6;1-3-2;1-2/h3-4H,5H2,1-2H3;3H,1H2,2H3;2H2,1H3/b6-3+,7-4+;;.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene?
(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene has a molecular weight of 199.29 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene is sourced from PubChem (CID 160974653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).