molecular hydrogen;1-pentyl-2,3-dihydropyrrole

C9H19N — CID 174478625

IUPACmolecular hydrogen;1-pentyl-2,3-dihydropyrrole
SMILESCCCCCN1C=CCC1.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7,9H2,1H3;1H
InChIKeyPYKRELCPHMDXSF-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds4

About molecular hydrogen;1-pentyl-2,3-dihydropyrrole

molecular hydrogen;1-pentyl-2,3-dihydropyrrole (PubChem CID 174478625) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is molecular hydrogen;1-pentyl-2,3-dihydropyrrole.

Molecular Properties

Compound Namemolecular hydrogen;1-pentyl-2,3-dihydropyrrole
PubChem CID174478625
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Namemolecular hydrogen;1-pentyl-2,3-dihydropyrrole
SMILESCCCCCN1C=CCC1.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7,9H2,1H3;1H
InChIKeyPYKRELCPHMDXSF-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze molecular hydrogen;1-pentyl-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide
CID 67211813
1-hex-5-enyl-2,3-dihydropyrrole
CID 57069013
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-pentyl-2,3-dihydropyrrole?
The IUPAC name of molecular hydrogen;1-pentyl-2,3-dihydropyrrole (CID 174478625) is molecular hydrogen;1-pentyl-2,3-dihydropyrrole.
What is the SMILES notation for molecular hydrogen;1-pentyl-2,3-dihydropyrrole?
The canonical SMILES for molecular hydrogen;1-pentyl-2,3-dihydropyrrole is CCCCCN1C=CCC1.[H][H].
What is the InChIKey of molecular hydrogen;1-pentyl-2,3-dihydropyrrole?
The InChIKey is PYKRELCPHMDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.H2/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7,9H2,1H3;1H.
What are the key properties of molecular hydrogen;1-pentyl-2,3-dihydropyrrole?
molecular hydrogen;1-pentyl-2,3-dihydropyrrole has a molecular weight of 141.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-pentyl-2,3-dihydropyrrole is sourced from PubChem (CID 174478625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).