2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide

C10H15N3O — CID 106384829

IUPAC2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H15N3O/c1-2-3-9(11)10(14)13-7-8-4-5-12-6-8/h2,4-6,9,12H,1,3,7,11H2,(H,13,14)
InChIKeyNILDZKMFKJXCOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.53
Rot. Bonds5

About 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide

2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide (PubChem CID 106384829) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
PubChem CID106384829
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H15N3O/c1-2-3-9(11)10(14)13-7-8-4-5-12-6-8/h2,4-6,9,12H,1,3,7,11H2,(H,13,14)
InChIKeyNILDZKMFKJXCOL-UHFFFAOYSA-N
XLogP0.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
CID 114332131
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide (CID 106384829) is 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide is C=CCC(N)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide?
The InChIKey is NILDZKMFKJXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-9(11)10(14)13-7-8-4-5-12-6-8/h2,4-6,9,12H,1,3,7,11H2,(H,13,14).
What are the key properties of 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide?
2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide has a molecular weight of 193.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide is sourced from PubChem (CID 106384829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).