N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide

C10H16N2O — CID 21302154

IUPACN-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCN(C)CCNC(=O)C1=CC=CC1
InChIInChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-5H,6-8H2,1-2H3,(H,11,13)
InChIKeyUHUDRQPXTJUYPZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.55
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide

N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 21302154) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID21302154
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCN(C)CCNC(=O)C1=CC=CC1
InChIInChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-5H,6-8H2,1-2H3,(H,11,13)
InChIKeyUHUDRQPXTJUYPZ-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide (CID 21302154) is N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide is CN(C)CCNC(=O)C1=CC=CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is UHUDRQPXTJUYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-5H,6-8H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide?
N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 21302154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).