4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine

C7H11N3O — CID 134334627

IUPAC4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine
SMILESCNc1occ(/C=C\N)c1N
InChIInChI=1S/C7H11N3O/c1-10-7-6(9)5(2-3-8)4-11-7/h2-4,10H,8-9H2,1H3/b3-2-
InChIKeyBQXIGWHMYVYHOG-IHWYPQMZSA-N
MW153.18 g/mol
LogP0.83
Rot. Bonds2

About 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine

4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine (PubChem CID 134334627) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine.

Molecular Properties

Compound Name4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine
PubChem CID134334627
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine
SMILESCNc1occ(/C=C\N)c1N
InChIInChI=1S/C7H11N3O/c1-10-7-6(9)5(2-3-8)4-11-7/h2-4,10H,8-9H2,1H3/b3-2-
InChIKeyBQXIGWHMYVYHOG-IHWYPQMZSA-N
XLogP0.83
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methylfuran-2,3-diamine
CID 20200448
4-Methylfuran-2,3-diamine
CID 69333769
2-N,2-N-dimethylfuran-2,3-diamine
CID 123815457
4-Amino-2-(propylamino)furan-3-carbonitrile
CID 141120274
2-N,4-N,3-trimethylfuran-2,4-diamine
CID 146299904
(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide
CID 166685516
3-N,3-N-dimethylfuran-2,3-diamine
CID 167037378
2-N,3-N,4-N-trimethylfuran-2,3,4-triamine
CID 174474232

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine?
The IUPAC name of 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine (CID 134334627) is 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine.
What is the SMILES notation for 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine?
The canonical SMILES for 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine is CNc1occ(/C=C\N)c1N.
What is the InChIKey of 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine?
The InChIKey is BQXIGWHMYVYHOG-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-7-6(9)5(2-3-8)4-11-7/h2-4,10H,8-9H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine?
4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine has a molecular weight of 153.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-aminoethenyl]-2-N-methylfuran-2,3-diamine is sourced from PubChem (CID 134334627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).