N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide

C9H14N2O — CID 173377477

IUPACN-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC=CN)C(=O)C=C
InChIInChI=1S/C9H14N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h3-6H,1-2,7-8,10H2
InChIKeyDSNCWVYJIDZQFU-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.66
Rot. Bonds5

About N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide

N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide (PubChem CID 173377477) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
PubChem CID173377477
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC=CN)C(=O)C=C
InChIInChI=1S/C9H14N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h3-6H,1-2,7-8,10H2
InChIKeyDSNCWVYJIDZQFU-UHFFFAOYSA-N
XLogP0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
sodium (E)-4-[bis(prop-2-enyl)amino]-4-oxobut-2-enoate
CID 23710269
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
amino N,N-bis(prop-2-enyl)carbamate
CID 88511784
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]prop-2-enyl]prop-2-enamide
CID 123149987
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 87501695

Frequently Asked Questions

What is the IUPAC name of N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide (CID 173377477) is N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide is C=CCN(CC=CN)C(=O)C=C.
What is the InChIKey of N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is DSNCWVYJIDZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-11(8-5-6-10)9(12)4-2/h3-6H,1-2,7-8,10H2.
What are the key properties of N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 173377477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).