4-(1H-pyrrol-2-ylmethyl)morpholine

C9H14N2O — CID 66636594

IUPAC4-(1H-pyrrol-2-ylmethyl)morpholine
SMILESc1c[nH]c(CN2CCOCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h1-3,10H,4-8H2
InChIKeyNNYCWQQBERZJMP-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.85
Rot. Bonds2

About 4-(1H-pyrrol-2-ylmethyl)morpholine

4-(1H-pyrrol-2-ylmethyl)morpholine (PubChem CID 66636594) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(1H-pyrrol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1H-pyrrol-2-ylmethyl)morpholine
PubChem CID66636594
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(1H-pyrrol-2-ylmethyl)morpholine
SMILESc1c[nH]c(CN2CCOCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h1-3,10H,4-8H2
InChIKeyNNYCWQQBERZJMP-UHFFFAOYSA-N
XLogP0.85
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-2-ylmethyl)morpholine?
The IUPAC name of 4-(1H-pyrrol-2-ylmethyl)morpholine (CID 66636594) is 4-(1H-pyrrol-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(1H-pyrrol-2-ylmethyl)morpholine?
The canonical SMILES for 4-(1H-pyrrol-2-ylmethyl)morpholine is c1c[nH]c(CN2CCOCC2)c1.
What is the InChIKey of 4-(1H-pyrrol-2-ylmethyl)morpholine?
The InChIKey is NNYCWQQBERZJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h1-3,10H,4-8H2.
What are the key properties of 4-(1H-pyrrol-2-ylmethyl)morpholine?
4-(1H-pyrrol-2-ylmethyl)morpholine has a molecular weight of 166.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-2-ylmethyl)morpholine is sourced from PubChem (CID 66636594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).