1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile

C11H16N2 — CID 177188421

IUPAC1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile
SMILESCC1NC(C2(C#N)CC2)=CC1(C)C
InChIInChI=1S/C11H16N2/c1-8-10(2,3)6-9(13-8)11(7-12)4-5-11/h6,8,13H,4-5H2,1-3H3
InChIKeyFTEDYEURAYESKT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds1

About 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile

1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 177188421) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile
PubChem CID177188421
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile
SMILESCC1NC(C2(C#N)CC2)=CC1(C)C
InChIInChI=1S/C11H16N2/c1-8-10(2,3)6-9(13-8)11(7-12)4-5-11/h6,8,13H,4-5H2,1-3H3
InChIKeyFTEDYEURAYESKT-UHFFFAOYSA-N
XLogP2.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile (CID 177188421) is 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile is CC1NC(C2(C#N)CC2)=CC1(C)C.
What is the InChIKey of 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is FTEDYEURAYESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-10(2,3)6-9(13-8)11(7-12)4-5-11/h6,8,13H,4-5H2,1-3H3.
What are the key properties of 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile?
1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 177188421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).