3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine

C9H13NO2 — CID 143759971

IUPAC3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine
SMILESC=C1OCO/C1=C/C(=C)C(C)N
InChIInChI=1S/C9H13NO2/c1-6(7(2)10)4-9-8(3)11-5-12-9/h4,7H,1,3,5,10H2,2H3/b9-4+
InChIKeyZQPVYAPIQRMVAW-RUDMXATFSA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds2

About 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine

3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine (PubChem CID 143759971) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine.

Molecular Properties

Compound Name3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine
PubChem CID143759971
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine
SMILESC=C1OCO/C1=C/C(=C)C(C)N
InChIInChI=1S/C9H13NO2/c1-6(7(2)10)4-9-8(3)11-5-12-9/h4,7H,1,3,5,10H2,2H3/b9-4+
InChIKeyZQPVYAPIQRMVAW-RUDMXATFSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene
CID 160974653
ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane
CID 156867966
(3R)-but-1-ene-2,3-diamine
CID 142167658
2-[(Z)-[(2E)-2-ethylideneoxolan-3-ylidene]methyl]-4,4-dimethylpent-1-en-3-amine
CID 142856991
4,5-bis(prop-1-en-2-yl)-1,3-dioxole
CID 144533747
1-(5-propan-2-yl-1,3-dioxol-4-yl)ethenethiol
CID 163629387
(3Z)-3-(3-methyl-2-methylidenebutylidene)-2-propyloxetan-2-amine
CID 146613339
2-methylpropane;prop-1-en-2-amine
CID 174893746
(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
CID 142611509
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
2-amino-1-(4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 84674987
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine?
The IUPAC name of 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine (CID 143759971) is 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine.
What is the SMILES notation for 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine?
The canonical SMILES for 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine is C=C1OCO/C1=C/C(=C)C(C)N.
What is the InChIKey of 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine?
The InChIKey is ZQPVYAPIQRMVAW-RUDMXATFSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(7(2)10)4-9-8(3)11-5-12-9/h4,7H,1,3,5,10H2,2H3/b9-4+.
What are the key properties of 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine?
3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine has a molecular weight of 167.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-methylidene-1,3-dioxolan-4-ylidene)methyl]but-3-en-2-amine is sourced from PubChem (CID 143759971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).