N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide

C9H14N2O — CID 87501695

IUPACN-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C=C)C(N)C=C
InChIInChI=1S/C9H14N2O/c1-4-7-11(8(10)5-2)9(12)6-3/h4-6,8H,1-3,7,10H2
InChIKeyOWUXXKGQBULMME-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.66
Rot. Bonds5

About N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide

N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide (PubChem CID 87501695) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
PubChem CID87501695
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C=C)C(N)C=C
InChIInChI=1S/C9H14N2O/c1-4-7-11(8(10)5-2)9(12)6-3/h4-6,8H,1-3,7,10H2
InChIKeyOWUXXKGQBULMME-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477
1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
CID 174255725
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
1-aminopropan-2-yl(prop-2-enyl)carbamic acid
CID 122620115
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]butanoic acid;hydrochloride
CID 140980370
N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide
CID 89318173
N-ethyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87932412
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
CID 88526263

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide (CID 87501695) is N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)C=C)C(N)C=C.
What is the InChIKey of N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is OWUXXKGQBULMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-11(8(10)5-2)9(12)6-3/h4-6,8H,1-3,7,10H2.
What are the key properties of N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide?
N-(1-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-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87501695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).