N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide

C12H12N2O — CID 84581981

IUPACN-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
SMILESO=CNC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C12H12N2O/c15-7-13-8-5-10-9-3-1-2-4-11(9)14-12(10)6-8/h1-4,7-8,14H,5-6H2,(H,13,15)
InChIKeyXYNMQXQATPIVIJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.38
Rot. Bonds2

About N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide

N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide (PubChem CID 84581981) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
PubChem CID84581981
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
SMILESO=CNC1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C12H12N2O/c15-7-13-8-5-10-9-3-1-2-4-11(9)14-12(10)6-8/h1-4,7-8,14H,5-6H2,(H,13,15)
InChIKeyXYNMQXQATPIVIJ-UHFFFAOYSA-N
XLogP1.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide?
The IUPAC name of N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide (CID 84581981) is N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide?
The canonical SMILES for N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide is O=CNC1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide?
The InChIKey is XYNMQXQATPIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-7-13-8-5-10-9-3-1-2-4-11(9)14-12(10)6-8/h1-4,7-8,14H,5-6H2,(H,13,15).
What are the key properties of N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide?
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide has a molecular weight of 200.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide is sourced from PubChem (CID 84581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).