N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine

C11H20N2 — CID 11446691

IUPACN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine
SMILESCCCCN/C(C)=C\C1=NCCC1
InChIInChI=1S/C11H20N2/c1-3-4-7-12-10(2)9-11-6-5-8-13-11/h9,12H,3-8H2,1-2H3/b10-9-
InChIKeyUHGCQTHWWDUZMY-KTKRTIGZSA-N
MW180.29 g/mol
LogP2.51
Rot. Bonds5

About N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine

N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine (PubChem CID 11446691) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine
PubChem CID11446691
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine
SMILESCCCCN/C(C)=C\C1=NCCC1
InChIInChI=1S/C11H20N2/c1-3-4-7-12-10(2)9-11-6-5-8-13-11/h9,12H,3-8H2,1-2H3/b10-9-
InChIKeyUHGCQTHWWDUZMY-KTKRTIGZSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine?
The IUPAC name of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine (CID 11446691) is N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine.
What is the SMILES notation for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine?
The canonical SMILES for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine is CCCCN/C(C)=C\C1=NCCC1.
What is the InChIKey of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine?
The InChIKey is UHGCQTHWWDUZMY-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-7-12-10(2)9-11-6-5-8-13-11/h9,12H,3-8H2,1-2H3/b10-9-.
What are the key properties of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine?
N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]butan-1-amine is sourced from PubChem (CID 11446691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).