2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal

C7H11NO — CID 143555959

IUPAC2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal
SMILESC=C(C=O)N(C)/C=C\C
InChIInChI=1S/C7H11NO/c1-4-5-8(3)7(2)6-9/h4-6H,2H2,1,3H3/b5-4-
InChIKeyAKVOYTCPLHRTGK-PLNGDYQASA-N
MW125.17 g/mol
LogP1.16
Rot. Bonds3

About 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal

2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal (PubChem CID 143555959) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal.

Molecular Properties

Compound Name2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal
PubChem CID143555959
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal
SMILESC=C(C=O)N(C)/C=C\C
InChIInChI=1S/C7H11NO/c1-4-5-8(3)7(2)6-9/h4-6H,2H2,1,3H3/b5-4-
InChIKeyAKVOYTCPLHRTGK-PLNGDYQASA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(Dimethylamino)-2-propenal
CID 79125
3-(Dimethylamino)acrylaldehyde
CID 638320
2-Propenal, 3-(diethylamino)-, (E)-
CID 5371544
3-Diethylamino-2-propenal
CID 581221
Dimethylaminoacroleine
CID 12773248
2-Diethylamino-2-butenal
CID 73308882
(Z)-3-(Dimethylamino)acrylaldehyde
CID 75412105
(E)-2-(diethylamino)but-2-enal
CID 12773254
Dimethylaminopentadienal
CID 129808187
2-Propenal, 2,3-bis(dimethylamino)-
CID 5371442
2-(Diethylamino)prop-2-enal
CID 12773250
Trimethyl(3-oxoprop-1-enyl)azanium
CID 85439010

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal?
The IUPAC name of 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal (CID 143555959) is 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal.
What is the SMILES notation for 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal?
The canonical SMILES for 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal is C=C(C=O)N(C)/C=C\C.
What is the InChIKey of 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal?
The InChIKey is AKVOYTCPLHRTGK-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-8(3)7(2)6-9/h4-6H,2H2,1,3H3/b5-4-.
What are the key properties of 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal?
2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal has a molecular weight of 125.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(Z)-prop-1-enyl]amino]prop-2-enal is sourced from PubChem (CID 143555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).