3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide

C9H15N3O — CID 66427820

IUPAC3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide
SMILESC=CCNC(C#N)CC(=O)NCC
InChIInChI=1S/C9H15N3O/c1-3-5-12-8(7-10)6-9(13)11-4-2/h3,8,12H,1,4-6H2,2H3,(H,11,13)
InChIKeyBNMZXJGJVPGIHB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.18
Rot. Bonds6

About 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide

3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide (PubChem CID 66427820) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide
PubChem CID66427820
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide
SMILESC=CCNC(C#N)CC(=O)NCC
InChIInChI=1S/C9H15N3O/c1-3-5-12-8(7-10)6-9(13)11-4-2/h3,8,12H,1,4-6H2,2H3,(H,11,13)
InChIKeyBNMZXJGJVPGIHB-UHFFFAOYSA-N
XLogP0.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 60837155
CID 60837155
CID 61845823
CID 61845823
CID 81969200
CID 81969200
CID 123197563
CID 123197563
CID 54855477
CID 54855477
CID 60500565
CID 60500565
CID 60837158
CID 60837158
CID 60851636
CID 60851636
CID 60852148
CID 60852148
CID 60854867
CID 60854867
CID 60946871
CID 60946871
CID 60946873
CID 60946873

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide?
The IUPAC name of 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide (CID 66427820) is 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide?
The canonical SMILES for 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide is C=CCNC(C#N)CC(=O)NCC.
What is the InChIKey of 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide?
The InChIKey is BNMZXJGJVPGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-12-8(7-10)6-9(13)11-4-2/h3,8,12H,1,4-6H2,2H3,(H,11,13).
What are the key properties of 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide?
3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 66427820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).