N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide

C15H20N4O — CID 107920810

IUPACN'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2CCN2CCCC2)c1
InChIInChI=1S/C15H20N4O/c16-15(17-20)13-3-4-14-12(11-13)5-8-19(14)10-9-18-6-1-2-7-18/h3-5,8,11,20H,1-2,6-7,9-10H2,(H2,16,17)
InChIKeyMQAZTTPQYCBTSN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds4

About N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide

N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide (PubChem CID 107920810) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
PubChem CID107920810
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2CCN2CCCC2)c1
InChIInChI=1S/C15H20N4O/c16-15(17-20)13-3-4-14-12(11-13)5-8-19(14)10-9-18-6-1-2-7-18/h3-5,8,11,20H,1-2,6-7,9-10H2,(H2,16,17)
InChIKeyMQAZTTPQYCBTSN-UHFFFAOYSA-N
XLogP1.83
TPSA66.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
CID 107920769
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
CID 11402695
1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
CID 154694215

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide (CID 107920810) is N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide is N/C(=N/O)c1ccc2c(ccn2CCN2CCCC2)c1.
What is the InChIKey of N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide?
The InChIKey is MQAZTTPQYCBTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-15(17-20)13-3-4-14-12(11-13)5-8-19(14)10-9-18-6-1-2-7-18/h3-5,8,11,20H,1-2,6-7,9-10H2,(H2,16,17).
What are the key properties of N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide?
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide has a molecular weight of 272.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide is sourced from PubChem (CID 107920810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).