(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid

C14H18N2O3 — CID 69107894

IUPAC(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
SMILESCCCCCN1C(=O)C(NC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(13(16)17)15-14(18)19/h4-5,7-8,12,15H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyXMPBCNVJVCOHBN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.53
Rot. Bonds5

About (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid

(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid (PubChem CID 69107894) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid.

Molecular Properties

Compound Name(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
PubChem CID69107894
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
SMILESCCCCCN1C(=O)C(NC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(13(16)17)15-14(18)19/h4-5,7-8,12,15H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyXMPBCNVJVCOHBN-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid?
The IUPAC name of (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid (CID 69107894) is (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid.
What is the SMILES notation for (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid?
The canonical SMILES for (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid is CCCCCN1C(=O)C(NC(=O)O)c2ccccc21.
What is the InChIKey of (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid?
The InChIKey is XMPBCNVJVCOHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(13(16)17)15-14(18)19/h4-5,7-8,12,15H,2-3,6,9H2,1H3,(H,18,19).
What are the key properties of (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid?
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid has a molecular weight of 262.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid is sourced from PubChem (CID 69107894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).