4-(3-methoxypropylamino)pent-3-en-2-one

C9H17NO2 — CID 139163309

IUPAC4-(3-methoxypropylamino)pent-3-en-2-one
SMILESCOCCCNC(C)=CC(C)=O
InChIInChI=1S/C9H17NO2/c1-8(7-9(2)11)10-5-4-6-12-3/h7,10H,4-6H2,1-3H3
InChIKeySOMILISIDYWDNX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About 4-(3-methoxypropylamino)pent-3-en-2-one

4-(3-methoxypropylamino)pent-3-en-2-one (PubChem CID 139163309) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)pent-3-en-2-one.

Molecular Properties

Compound Name4-(3-methoxypropylamino)pent-3-en-2-one
PubChem CID139163309
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(3-methoxypropylamino)pent-3-en-2-one
SMILESCOCCCNC(C)=CC(C)=O
InChIInChI=1S/C9H17NO2/c1-8(7-9(2)11)10-5-4-6-12-3/h7,10H,4-6H2,1-3H3
InChIKeySOMILISIDYWDNX-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3-trimethylsilyloxypropylamino)pent-3-en-2-one
CID 177427782
3-methoxypropylurea
CID 2064040
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
ethyl (2Z,4E)-2-cyano-5-(3-methoxypropylamino)-3-propylhexa-2,4-dienoate
CID 138528746
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
N'-(3-methoxypropyl)decanediamide
CID 89083408
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)pent-3-en-2-one?
The IUPAC name of 4-(3-methoxypropylamino)pent-3-en-2-one (CID 139163309) is 4-(3-methoxypropylamino)pent-3-en-2-one.
What is the SMILES notation for 4-(3-methoxypropylamino)pent-3-en-2-one?
The canonical SMILES for 4-(3-methoxypropylamino)pent-3-en-2-one is COCCCNC(C)=CC(C)=O.
What is the InChIKey of 4-(3-methoxypropylamino)pent-3-en-2-one?
The InChIKey is SOMILISIDYWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-9(2)11)10-5-4-6-12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 4-(3-methoxypropylamino)pent-3-en-2-one?
4-(3-methoxypropylamino)pent-3-en-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)pent-3-en-2-one is sourced from PubChem (CID 139163309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).