amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate

C5H10N2O2 — CID 146420502

IUPACamino N-(3-hydroxyprop-1-en-2-yl)ethanimidate
SMILESC=C(CO)/N=C(\C)ON
InChIInChI=1S/C5H10N2O2/c1-4(3-8)7-5(2)9-6/h8H,1,3,6H2,2H3/b7-5+
InChIKeyHJWAPBARJLSOGT-FNORWQNLSA-N
MW130.15 g/mol
LogP-0.20
Rot. Bonds2

About amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate

amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate (PubChem CID 146420502) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate.

Molecular Properties

Compound Nameamino N-(3-hydroxyprop-1-en-2-yl)ethanimidate
PubChem CID146420502
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Nameamino N-(3-hydroxyprop-1-en-2-yl)ethanimidate
SMILESC=C(CO)/N=C(\C)ON
InChIInChI=1S/C5H10N2O2/c1-4(3-8)7-5(2)9-6/h8H,1,3,6H2,2H3/b7-5+
InChIKeyHJWAPBARJLSOGT-FNORWQNLSA-N
XLogP-0.20
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-but-1-en-2-ylethanimidate
CID 177320035
2-propoxyprop-2-en-1-ol
CID 89416516
2-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167219990
2-methylprop-2-en-1-ol;zirconium
CID 88651592
O-(3-methylbuta-1,3-dien-2-yl)hydroxylamine
CID 163955629
amino acetate;butane
CID 90344227
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl N-acetylethanimidate
CID 10011919
methanamine;tris(methanediol)
CID 173091621
1,1-diethoxyethene;ethane-1,2-diol
CID 88771000
N'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
ethyl (1E)-ethanehydrazonate
CID 57432796

Frequently Asked Questions

What is the IUPAC name of amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate?
The IUPAC name of amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate (CID 146420502) is amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate.
What is the SMILES notation for amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate?
The canonical SMILES for amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate is C=C(CO)/N=C(\C)ON.
What is the InChIKey of amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate?
The InChIKey is HJWAPBARJLSOGT-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(3-8)7-5(2)9-6/h8H,1,3,6H2,2H3/b7-5+.
What are the key properties of amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate?
amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate has a molecular weight of 130.15 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(3-hydroxyprop-1-en-2-yl)ethanimidate is sourced from PubChem (CID 146420502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).