carbonic acid;N,N-dihydroxyprop-2-en-1-amine

C4H9NO5 — CID 129188900

IUPACcarbonic acid;N,N-dihydroxyprop-2-en-1-amine
SMILESC=CCN(O)O.O=C(O)O
InChIInChI=1S/C3H7NO2.CH2O3/c1-2-3-4(5)6;2-1(3)4/h2,5-6H,1,3H2;(H2,2,3,4)
InChIKeyBQHBCKRWLHURAG-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.48
Rot. Bonds2

About carbonic acid;N,N-dihydroxyprop-2-en-1-amine

carbonic acid;N,N-dihydroxyprop-2-en-1-amine (PubChem CID 129188900) has the molecular formula C4H9NO5 and a molecular weight of 151.12 g/mol. Its IUPAC name is carbonic acid;N,N-dihydroxyprop-2-en-1-amine.

Molecular Properties

Compound Namecarbonic acid;N,N-dihydroxyprop-2-en-1-amine
PubChem CID129188900
Molecular FormulaC4H9NO5
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Namecarbonic acid;N,N-dihydroxyprop-2-en-1-amine
SMILESC=CCN(O)O.O=C(O)O
InChIInChI=1S/C3H7NO2.CH2O3/c1-2-3-4(5)6;2-1(3)4/h2,5-6H,1,3H2;(H2,2,3,4)
InChIKeyBQHBCKRWLHURAG-UHFFFAOYSA-N
XLogP0.48
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
iron(2+);prop-2-enoic acid
CID 10290804
2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N,N-dihydroxyprop-2-en-1-amine?
The IUPAC name of carbonic acid;N,N-dihydroxyprop-2-en-1-amine (CID 129188900) is carbonic acid;N,N-dihydroxyprop-2-en-1-amine.
What is the SMILES notation for carbonic acid;N,N-dihydroxyprop-2-en-1-amine?
The canonical SMILES for carbonic acid;N,N-dihydroxyprop-2-en-1-amine is C=CCN(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;N,N-dihydroxyprop-2-en-1-amine?
The InChIKey is BQHBCKRWLHURAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.CH2O3/c1-2-3-4(5)6;2-1(3)4/h2,5-6H,1,3H2;(H2,2,3,4).
What are the key properties of carbonic acid;N,N-dihydroxyprop-2-en-1-amine?
carbonic acid;N,N-dihydroxyprop-2-en-1-amine has a molecular weight of 151.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N,N-dihydroxyprop-2-en-1-amine is sourced from PubChem (CID 129188900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).