N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide

C15H17N3O2 — CID 174675554

IUPACN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
SMILESCn1cc(C(=O)N2CCCC2NC=O)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19)
InChIKeyVCRTVJAQERYWMC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide

N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide (PubChem CID 174675554) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
PubChem CID174675554
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
SMILESCn1cc(C(=O)N2CCCC2NC=O)c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19)
InChIKeyVCRTVJAQERYWMC-UHFFFAOYSA-N
XLogP1.49
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide (CID 174675554) is N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide is Cn1cc(C(=O)N2CCCC2NC=O)c2ccccc21.
What is the InChIKey of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
The InChIKey is VCRTVJAQERYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-9-12(11-5-2-3-6-13(11)17)15(20)18-8-4-7-14(18)16-10-19/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,19).
What are the key properties of N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide?
N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide has a molecular weight of 271.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide is sourced from PubChem (CID 174675554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).