2-methylidene-1-propan-2-yl-3H-pyrrole

C8H13N — CID 158116176

IUPAC2-methylidene-1-propan-2-yl-3H-pyrrole
SMILESC=C1CC=CN1C(C)C
InChIInChI=1S/C8H13N/c1-7(2)9-6-4-5-8(9)3/h4,6-7H,3,5H2,1-2H3
InChIKeyYDHAAGXTPZCDMN-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.13
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-3H-pyrrole

2-methylidene-1-propan-2-yl-3H-pyrrole (PubChem CID 158116176) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-3H-pyrrole
PubChem CID158116176
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methylidene-1-propan-2-yl-3H-pyrrole
SMILESC=C1CC=CN1C(C)C
InChIInChI=1S/C8H13N/c1-7(2)9-6-4-5-8(9)3/h4,6-7H,3,5H2,1-2H3
InChIKeyYDHAAGXTPZCDMN-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-yl-3H-pyrrole?
The IUPAC name of 2-methylidene-1-propan-2-yl-3H-pyrrole (CID 158116176) is 2-methylidene-1-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-3H-pyrrole?
The canonical SMILES for 2-methylidene-1-propan-2-yl-3H-pyrrole is C=C1CC=CN1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-3H-pyrrole?
The InChIKey is YDHAAGXTPZCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)9-6-4-5-8(9)3/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-3H-pyrrole?
2-methylidene-1-propan-2-yl-3H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 158116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).