N-prop-2-enylcyclopenta-1,3-dien-1-amine

C8H11N — CID 67050767

IUPACN-prop-2-enylcyclopenta-1,3-dien-1-amine
SMILESC=CCNC1=CC=CC1
InChIInChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-5,9H,1,6-7H2
InChIKeyATXAPHMCFKURLW-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.61
Rot. Bonds3

About N-prop-2-enylcyclopenta-1,3-dien-1-amine

N-prop-2-enylcyclopenta-1,3-dien-1-amine (PubChem CID 67050767) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-prop-2-enylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-prop-2-enylcyclopenta-1,3-dien-1-amine
PubChem CID67050767
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-prop-2-enylcyclopenta-1,3-dien-1-amine
SMILESC=CCNC1=CC=CC1
InChIInChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-5,9H,1,6-7H2
InChIKeyATXAPHMCFKURLW-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrroline, 2-ethyl-
CID 23422339
Dihydrolutidin
CID 5245820
N-methylcyclopenta-1,3-dien-1-amine
CID 14325423
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
5-Vinyl-2,3-dihydropyrrole
CID 22160293
1H-cycloocta[b]pyrrole
CID 54226927
Dihydroazapentalene
CID 118388027
Dihydroindeno[1,2-b]pyridine
CID 129712711
1,2-Dihydro-1-azaazulene
CID 129741193
Tetra-hydrocyclopenta[b]azepine
CID 129742811
Tetrahydro 5h cycloheptapyrazine
CID 129802376
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-prop-2-enylcyclopenta-1,3-dien-1-amine (CID 67050767) is N-prop-2-enylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-prop-2-enylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-prop-2-enylcyclopenta-1,3-dien-1-amine is C=CCNC1=CC=CC1.
What is the InChIKey of N-prop-2-enylcyclopenta-1,3-dien-1-amine?
The InChIKey is ATXAPHMCFKURLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-5,9H,1,6-7H2.
What are the key properties of N-prop-2-enylcyclopenta-1,3-dien-1-amine?
N-prop-2-enylcyclopenta-1,3-dien-1-amine has a molecular weight of 121.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 67050767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).