2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde

C16H18N2O2 — CID 146414137

IUPAC2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
SMILESCNC1CCN(c2ccc3ccc(O)c(C=O)c3c2)C1
InChIInChI=1S/C16H18N2O2/c1-17-12-6-7-18(9-12)13-4-2-11-3-5-16(20)15(10-19)14(11)8-13/h2-5,8,10,12,17,20H,6-7,9H2,1H3
InChIKeyGOWBCBRUIMLICN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.16
Rot. Bonds3

About 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde

2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde (PubChem CID 146414137) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
PubChem CID146414137
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
SMILESCNC1CCN(c2ccc3ccc(O)c(C=O)c3c2)C1
InChIInChI=1S/C16H18N2O2/c1-17-12-6-7-18(9-12)13-4-2-11-3-5-16(20)15(10-19)14(11)8-13/h2-5,8,10,12,17,20H,6-7,9H2,1H3
InChIKeyGOWBCBRUIMLICN-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde (CID 146414137) is 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde is CNC1CCN(c2ccc3ccc(O)c(C=O)c3c2)C1.
What is the InChIKey of 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde?
The InChIKey is GOWBCBRUIMLICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-12-6-7-18(9-12)13-4-2-11-3-5-16(20)15(10-19)14(11)8-13/h2-5,8,10,12,17,20H,6-7,9H2,1H3.
What are the key properties of 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde?
2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 146414137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).