molecular hydrogen;2-propyl-1H-pyrrole

C7H13N — CID 157161964

IUPACmolecular hydrogen;2-propyl-1H-pyrrole
SMILESCCCc1ccc[nH]1.[H][H]
InChIInChI=1S/C7H11N.H2/c1-2-4-7-5-3-6-8-7;/h3,5-6,8H,2,4H2,1H3;1H
InChIKeyAMMFDWXYPMHKFT-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.21
Rot. Bonds2

About molecular hydrogen;2-propyl-1H-pyrrole

molecular hydrogen;2-propyl-1H-pyrrole (PubChem CID 157161964) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is molecular hydrogen;2-propyl-1H-pyrrole.

Molecular Properties

Compound Namemolecular hydrogen;2-propyl-1H-pyrrole
PubChem CID157161964
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namemolecular hydrogen;2-propyl-1H-pyrrole
SMILESCCCc1ccc[nH]1.[H][H]
InChIInChI=1S/C7H11N.H2/c1-2-4-7-5-3-6-8-7;/h3,5-6,8H,2,4H2,1H3;1H
InChIKeyAMMFDWXYPMHKFT-UHFFFAOYSA-N
XLogP2.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
2-pentyl-1H-azonine
CID 174935963
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
CID 67818955
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
2-prop-2-ynyl-1H-pyrrole
CID 12008703
6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 115265704
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propyl-1H-pyrrole?
The IUPAC name of molecular hydrogen;2-propyl-1H-pyrrole (CID 157161964) is molecular hydrogen;2-propyl-1H-pyrrole.
What is the SMILES notation for molecular hydrogen;2-propyl-1H-pyrrole?
The canonical SMILES for molecular hydrogen;2-propyl-1H-pyrrole is CCCc1ccc[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;2-propyl-1H-pyrrole?
The InChIKey is AMMFDWXYPMHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.H2/c1-2-4-7-5-3-6-8-7;/h3,5-6,8H,2,4H2,1H3;1H.
What are the key properties of molecular hydrogen;2-propyl-1H-pyrrole?
molecular hydrogen;2-propyl-1H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-propyl-1H-pyrrole is sourced from PubChem (CID 157161964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).