2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole

C11H16N2 — CID 150872813

IUPAC2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole
SMILESC1CCC2=C(C1)CC1=NCCCN12
InChIInChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-11-12-6-3-7-13(10)11/h1-8H2
InChIKeyKUJWWXNNAPXEIB-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.32
Rot. Bonds

About 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole

2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole (PubChem CID 150872813) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole.

Molecular Properties

Compound Name2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole
PubChem CID150872813
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole
SMILESC1CCC2=C(C1)CC1=NCCCN12
InChIInChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-11-12-6-3-7-13(10)11/h1-8H2
InChIKeyKUJWWXNNAPXEIB-UHFFFAOYSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24870779
1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine
CID 59869158
N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine
CID 155351240
CID 163252922
CID 163252922
4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine
CID 174316939
8,13-Dimethyl-8-aza-1-azoniatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene
CID 23344254
CID 142616555
CID 142616555

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole?
The IUPAC name of 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole (CID 150872813) is 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole.
What is the SMILES notation for 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole?
The canonical SMILES for 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole is C1CCC2=C(C1)CC1=NCCCN12.
What is the InChIKey of 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole?
The InChIKey is KUJWWXNNAPXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-11-12-6-3-7-13(10)11/h1-8H2.
What are the key properties of 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole?
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole has a molecular weight of 176.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]indole is sourced from PubChem (CID 150872813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).