N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

C14H17N3O — CID 171517883

IUPACN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18)
InChIKeyKZLHDVJMFVLEKH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds3

About N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171517883) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171517883
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18)
InChIKeyKZLHDVJMFVLEKH-UHFFFAOYSA-N
XLogP2.17
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Acetyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 648697
N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 10037095
N-[2-(2-phenylindol-1-yl)ethyl]propanamide
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CID 6498693

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 171517883) is N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1.
What is the InChIKey of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is KZLHDVJMFVLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18).
What are the key properties of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171517883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).