(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

C14H22N2O — CID 99631897

IUPAC(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@@H]1COCCN1CC1CCC1
InChIInChI=1S/C14H22N2O/c1-15-7-3-6-13(15)14-11-17-9-8-16(14)10-12-4-2-5-12/h3,6-7,12,14H,2,4-5,8-11H2,1H3/t14-/m0/s1
InChIKeyGIJBVLCFQGYDTJ-AWEZNQCLSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds3

About (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (PubChem CID 99631897) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
PubChem CID99631897
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@@H]1COCCN1CC1CCC1
InChIInChI=1S/C14H22N2O/c1-15-7-3-6-13(15)14-11-17-9-8-16(14)10-12-4-2-5-12/h3,6-7,12,14H,2,4-5,8-11H2,1H3/t14-/m0/s1
InChIKeyGIJBVLCFQGYDTJ-AWEZNQCLSA-N
XLogP2.20
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The IUPAC name of (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (CID 99631897) is (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.
What is the SMILES notation for (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The canonical SMILES for (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is Cn1cccc1[C@@H]1COCCN1CC1CCC1.
What is the InChIKey of (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The InChIKey is GIJBVLCFQGYDTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-7-3-6-13(15)14-11-17-9-8-16(14)10-12-4-2-5-12/h3,6-7,12,14H,2,4-5,8-11H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine has a molecular weight of 234.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is sourced from PubChem (CID 99631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).