N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide

C9H18N2O — CID 130411879

IUPACN-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide
SMILESCCCCC(=O)N/C(C)=C/NC
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)11-8(2)7-10-3/h7,10H,4-6H2,1-3H3,(H,11,12)/b8-7+
InChIKeyISIJQSVFZXDPFI-BQYQJAHWSA-N
MW170.26 g/mol
LogP1.37
Rot. Bonds5

About N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide

N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide (PubChem CID 130411879) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide.

Molecular Properties

Compound NameN-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide
PubChem CID130411879
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide
SMILESCCCCC(=O)N/C(C)=C/NC
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)11-8(2)7-10-3/h7,10H,4-6H2,1-3H3,(H,11,12)/b8-7+
InChIKeyISIJQSVFZXDPFI-BQYQJAHWSA-N
XLogP1.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide?
The IUPAC name of N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide (CID 130411879) is N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide.
What is the SMILES notation for N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide?
The canonical SMILES for N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide is CCCCC(=O)N/C(C)=C/NC.
What is the InChIKey of N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide?
The InChIKey is ISIJQSVFZXDPFI-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-9(12)11-8(2)7-10-3/h7,10H,4-6H2,1-3H3,(H,11,12)/b8-7+.
What are the key properties of N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide?
N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide has a molecular weight of 170.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(methylamino)prop-1-en-2-yl]pentanamide is sourced from PubChem (CID 130411879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).