N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide

C10H12N2O — CID 106385371

IUPACN-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H12N2O/c1-2-3-4-10(13)12-8-9-5-6-11-7-9/h1,5-7,11H,3-4,8H2,(H,12,13)
InChIKeyBHLRLMRXUQJZPB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.04
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide

N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide (PubChem CID 106385371) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
PubChem CID106385371
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H12N2O/c1-2-3-4-10(13)12-8-9-5-6-11-7-9/h1,5-7,11H,3-4,8H2,(H,12,13)
InChIKeyBHLRLMRXUQJZPB-UHFFFAOYSA-N
XLogP1.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385366
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384868
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide (CID 106385371) is N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide is C#CCCC(=O)NCc1cc[nH]c1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide?
The InChIKey is BHLRLMRXUQJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-3-4-10(13)12-8-9-5-6-11-7-9/h1,5-7,11H,3-4,8H2,(H,12,13).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide?
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide has a molecular weight of 176.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide is sourced from PubChem (CID 106385371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).