2-[bis(prop-2-enyl)amino]propanamide

C9H16N2O — CID 82040435

IUPAC2-[bis(prop-2-enyl)amino]propanamide
SMILESC=CCN(CC=C)C(C)C(N)=O
InChIInChI=1S/C9H16N2O/c1-4-6-11(7-5-2)8(3)9(10)12/h4-5,8H,1-2,6-7H2,3H3,(H2,10,12)
InChIKeyAVEFLDGAWVIRDV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.53
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]propanamide

2-[bis(prop-2-enyl)amino]propanamide (PubChem CID 82040435) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]propanamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]propanamide
PubChem CID82040435
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[bis(prop-2-enyl)amino]propanamide
SMILESC=CCN(CC=C)C(C)C(N)=O
InChIInChI=1S/C9H16N2O/c1-4-6-11(7-5-2)8(3)9(10)12/h4-5,8H,1-2,6-7H2,3H3,(H2,10,12)
InChIKeyAVEFLDGAWVIRDV-UHFFFAOYSA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine
CID 175213941
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-(dipropylamino)propanamide
CID 18474126
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
CID 115539173
1-(3-amino-4-methoxyphenyl)-2-[bis(prop-2-enyl)amino]propan-1-one
CID 82256661
[(2S)-1-amino-1-oxobutan-2-yl]-prop-2-enylcarbamic acid
CID 87757841
ethyl (2S,3S)-2-[bis(prop-2-enyl)amino]-3-methyl-4-oxohexanoate
CID 11311676
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
CID 155589640
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]propanamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]propanamide (CID 82040435) is 2-[bis(prop-2-enyl)amino]propanamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]propanamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]propanamide is C=CCN(CC=C)C(C)C(N)=O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]propanamide?
The InChIKey is AVEFLDGAWVIRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-11(7-5-2)8(3)9(10)12/h4-5,8H,1-2,6-7H2,3H3,(H2,10,12).
What are the key properties of 2-[bis(prop-2-enyl)amino]propanamide?
2-[bis(prop-2-enyl)amino]propanamide has a molecular weight of 168.24 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]propanamide is sourced from PubChem (CID 82040435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).