(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane

C9H15N3O — CID 143283963

IUPAC(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane
SMILESC=C/C=c1\c(=C)[nH]c(=O)n1N.CC
InChIInChI=1S/C7H9N3O.C2H6/c1-3-4-6-5(2)9-7(11)10(6)8;1-2/h3-4H,1-2,8H2,(H,9,11);1-2H3/b6-4+;
InChIKeyGZTQWBMVTIDJNM-CVDVRWGVSA-N
MW181.24 g/mol
LogP-0.71
Rot. Bonds1

About (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane

(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane (PubChem CID 143283963) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane.

Molecular Properties

Compound Name(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane
PubChem CID143283963
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane
SMILESC=C/C=c1\c(=C)[nH]c(=O)n1N.CC
InChIInChI=1S/C7H9N3O.C2H6/c1-3-4-6-5(2)9-7(11)10(6)8;1-2/h3-4H,1-2,8H2,(H,9,11);1-2H3/b6-4+;
InChIKeyGZTQWBMVTIDJNM-CVDVRWGVSA-N
XLogP-0.71
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane?
The IUPAC name of (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane (CID 143283963) is (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane.
What is the SMILES notation for (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane?
The canonical SMILES for (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane is C=C/C=c1\c(=C)[nH]c(=O)n1N.CC.
What is the InChIKey of (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane?
The InChIKey is GZTQWBMVTIDJNM-CVDVRWGVSA-N. The full InChI is InChI=1S/C7H9N3O.C2H6/c1-3-4-6-5(2)9-7(11)10(6)8;1-2/h3-4H,1-2,8H2,(H,9,11);1-2H3/b6-4+;.
What are the key properties of (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane?
(5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane has a molecular weight of 181.24 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-amino-4-methylidene-5-prop-2-enylideneimidazolidin-2-one;ethane is sourced from PubChem (CID 143283963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).