(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal

C6H10N2O — CID 89228251

IUPAC(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
SMILESC=C(C)N/C=C(\N)C=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-3-6(7)4-9/h3-4,8H,1,7H2,2H3/b6-3-
InChIKeyXJRZHGHHONYOSD-UTCJRWHESA-N
MW126.16 g/mol
LogP0.11
Rot. Bonds3

About (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal

(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal (PubChem CID 89228251) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
PubChem CID89228251
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
SMILESC=C(C)N/C=C(\N)C=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-3-6(7)4-9/h3-4,8H,1,7H2,2H3/b6-3-
InChIKeyXJRZHGHHONYOSD-UTCJRWHESA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-tert.-Butylamino-acrolein
CID 58715196
N-isopropyl acrolamide
CID 129863793
(E)-3-(ethylamino)prop-2-enal
CID 22970726
2-Amino-3-(dimethylamino)prop-2-enal
CID 76224519
(Z)-3-(ethylamino)prop-2-enal
CID 131243913
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
CID 55289772
3-Ethylamino-propenal
CID 74010223
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
CID 135052371
(Z)-2-fluoro-3-(isopropylamino)-acrylaldehyde
CID 14934221
3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 541490
(E)-3-(tert-butylamino)prop-2-enal
CID 5325893
(Z)-3-(tert-butylamino)prop-2-enal
CID 5325894

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal?
The IUPAC name of (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal (CID 89228251) is (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal is C=C(C)N/C=C(\N)C=O.
What is the InChIKey of (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal?
The InChIKey is XJRZHGHHONYOSD-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-3-6(7)4-9/h3-4,8H,1,7H2,2H3/b6-3-.
What are the key properties of (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal?
(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal has a molecular weight of 126.16 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal is sourced from PubChem (CID 89228251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).