2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen

C15H26N2O — CID 155717000

IUPAC2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC.NC(=O)CN1CCC2=C1C=CC=C=C2.[H][H]
InChIInChI=1S/C11H12N2O.2C2H6.H2/c12-11(14)8-13-7-6-9-4-2-1-3-5-10(9)13;2*1-2;/h1,3-5H,6-8H2,(H2,12,14);2*1-2H3;1H
InChIKeyTZKNATKSFVYCBX-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.01
Rot. Bonds2

About 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen

2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen (PubChem CID 155717000) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen
PubChem CID155717000
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC.NC(=O)CN1CCC2=C1C=CC=C=C2.[H][H]
InChIInChI=1S/C11H12N2O.2C2H6.H2/c12-11(14)8-13-7-6-9-4-2-1-3-5-10(9)13;2*1-2;/h1,3-5H,6-8H2,(H2,12,14);2*1-2H3;1H
InChIKeyTZKNATKSFVYCBX-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60067168
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
CID 123491190
N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide
CID 123896834
2-[[(3E)-hexa-1,3-dien-3-yl]-methylamino]acetamide
CID 129095090
2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
CID 130180921
2-(diethylamino)-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 130180953
4-Tert-butyl-5-methyl-1,3,5,6-tetrahydroquinoxalin-2-one
CID 134369157
(5Z)-6-methyl-4-prop-2-enyl-3,7,10,11-tetrahydro-1H-1,4-benzodiazonin-2-one
CID 135161153
2-(methylamino)-N-[2-[5-(methylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]acetamide
CID 135235174
2-(diethylamino)-N-(2,6-dimethylcyclohepta-1,3,5-trien-1-yl)acetamide
CID 142109143
2-[4-[(4Z)-2-methylhexa-2,4-dien-3-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 143566735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen?
The IUPAC name of 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen (CID 155717000) is 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen.
What is the SMILES notation for 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen?
The canonical SMILES for 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen is CC.CC.NC(=O)CN1CCC2=C1C=CC=C=C2.[H][H].
What is the InChIKey of 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen?
The InChIKey is TZKNATKSFVYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.2C2H6.H2/c12-11(14)8-13-7-6-9-4-2-1-3-5-10(9)13;2*1-2;/h1,3-5H,6-8H2,(H2,12,14);2*1-2H3;1H.
What are the key properties of 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen?
2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen has a molecular weight of 250.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrocyclohepta[b]pyrrol-1-yl)acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 155717000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).